IngredientID 25926

Methakrylsaeure

C4H6O2

Relationship Network

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Herb: 1Ingredient: 1Target: 12Links: 13

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 25926
Core Entity Id: 32009
Source Entity Count: 1
Preferred Name: Methakrylsaeure
Name En
Pubchem Id: 4093
Smiles Canonical: CC(=C)C(=O)O
Molecular Formula: C4H6O2
Molecular Weight: 86.0900
Inchikey: CERQOIWHTDAKMF-UHFFFAOYSA-N
Inchi: InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
Isomeric Smiles: CC(=C)C(=O)O
Cas Id: 115708-68-4
Ob Score: 61.5530
Mol Logp: 0.6471
Num H Donors: 1
Num H Acceptors: 1
Num Rotatable Bonds: 1
Drug Likeness: 0.4750
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name

Methakrylsaeure

Role

Molecule_name

Source

SymMap_v2

Preferred

Yes

Name

Methakrylsaeure

Role

preferred

Source

ETCM_v2

Preferred

Yes

Name

Methakrylsaeure

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

Methakrylsaeure

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Methakrylsaeure

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Methakrylsaeure

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

.alpha.-Methacrylic acid

Role

alias

Source

TCMBank

Preferred

Name

115708-68-4

Role

alias

Source

TCMBank

Preferred

Name

155721_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

2-Methacrylic Acid

Role

alias

Source

TCMBank

Preferred

Name

2-Methyl-2-propenoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2-Methyl-2-propenoic acid

Role

alias

Source

HERB_v2

Preferred

Name

2-Methyl-2-propenoic acid

Role

alias

Source

TCMBank

Preferred

Name

2-Methylacrylic acid

Role

alias

Source

TCMBank

Preferred

Name

2-Methylacrylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2-Methylacrylic acid

Role

alias

Source

HERB_v2

Preferred

Name

2-Methylenepropionic acid

Role

alias

Source

HERB_v2

Preferred

Name

2-Methylenepropionic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2-Methylenepropionic acid

Role

alias

Source

TCMBank

Preferred

Name

2-Methylpropenoic acid

Role

alias

Source

HERB_v2

Preferred

Name

2-Methylpropenoic acid

Role

alias

Source

TCMBank

Preferred

Name

2-Methylpropenoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2-Methylpropensaeure

Role

alias

Source

TCMBank

Preferred

Name

2-Propenoic acid, 2-methyl-

Role

alias

Source

itcmdb_public

Preferred

Name

2-Propenoic acid, 2-methyl-

Role

alias

Source

HERB_v2

Preferred

Name

2-Propenoic acid, 2-methyl-

Role

alias

Source

TCMBank

Preferred

Name

2-Propenoic acid, 2-methyl-, homopolymer

Role

alias

Source

TCMBank

Preferred

Name

2-methylprop-2-enoic acid

Role

alias

Source

TCMBank

Preferred

Name

2-methylprop-2-enoic acid

Role

alias

Source

itcmdb_public

Preferred

Name

2-methylprop-2-enoic acid

Role

alias

Source

HERB_v2

Preferred

Name

395374_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

4-02-00-01518 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

463311-95-7

Role

alias

Source

TCMBank

Preferred

Name

64050_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

79-41-4

Role

alias

Source

TCMBank

Preferred

Name

79-41-4

Role

alias

Source

HERB_v2

Preferred

Name

79-41-4

Role

alias

Source

itcmdb_public

Preferred

Name

AI3-15724

Role

alias

Source

TCMBank

Preferred

Name

Acide methacrylique [French]

Role

alias

Source

TCMBank

Preferred

Name

Acido metacrilico [Spanish]

Role

alias

Source

TCMBank

Preferred

Name

Acrylic acid, 2-methyl-

Role

alias

Source

TCMBank

Preferred

Name

BRN 1719937

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 5925

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:25219

Role

alias

Source

TCMBank

Preferred

Name

EINECS 201-204-4

Role

alias

Source

TCMBank

Preferred

Name

HSDB 2649

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6

Role

alias

Source

TCMBank

Preferred

Name

Kyselina methakrylova [Czech]

Role

alias

Source

TCMBank

Preferred

Name

METHACRYLIC ACID

Role

alias

Source

itcmdb_public

Preferred

Name

METHACRYLIC ACID

Role

alias

Source

HERB_v2

Preferred

Name

Methacrylic acid

Role

alias

Source

TCMBank

Preferred

Name

Methacrylic acid, inhibited [UN2531] [Corrosive]

Role

alias

Source

TCMBank

Preferred

Name

Methacrylsaeure

Role

alias

Source

TCMBank

Preferred

Name

Methylacrylic acid

Role

alias

Source

itcmdb_public

Preferred

Name

Methylacrylic acid

Role

alias

Source

HERB_v2

Preferred

Name

Methylacrylic acid

Role

alias

Source

TCMBank

Preferred

Name

NSC7393

Role

alias

Source

TCMBank

Preferred

Name

POLY(METHYLACRYLIC ACID)

Role

alias

Source

TCMBank

Preferred

Name

Polymethacrylic acid

Role

alias

Source

TCMBank

Preferred

Name

Propenoic acid, 2-methyl

Role

alias

Source

TCMBank

Preferred

Name

Propionic acid, 2-methylene-

Role

alias

Source

TCMBank

Preferred

Name

UN2531

Role

alias

Source

TCMBank

Preferred

Name

WLN: QVY1&U1

Role

alias

Source

TCMBank

Preferred

Name

alpha-Methylacrylic acid

Role

alias

Source

HERB_v2

Preferred

Name

alpha-Methylacrylic acid

Role

alias

Source

TCMBank

Preferred

Name

alpha-Methylacrylic acid

Role

alias

Source

itcmdb_public

Preferred

Aliases

Additional names normalized into the restored final schema.

.alpha.-Methacrylic acid115708-68-4155721_ALDRICH2-Methacrylic Acid2-Methyl-2-propenoic acid2-Methylacrylic acid2-Methylenepropionic acid2-Methylpropenoic acid2-Methylpropensaeure2-Propenoic acid, 2-methyl-2-Propenoic acid, 2-methyl-, homopolymer2-methylprop-2-enoic acid395374_ALDRICH4-02-00-01518 (Beilstein Handbook Reference)463311-95-764050_FLUKA79-41-4AI3-15724Acide methacrylique [French]Acido metacrilico [Spanish]Acrylic acid, 2-methyl-BRN 1719937CCRIS 5925CHEBI:25219EINECS 201-204-4HSDB 2649InChI=1/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6Kyselina methakrylova [Czech]METHACRYLIC ACIDMethacrylic acid, inhibited [UN2531] [Corrosive]MethacrylsaeureMethylacrylic acidNSC7393POLY(METHYLACRYLIC ACID)Polymethacrylic acidPropenoic acid, 2-methylPropionic acid, 2-methylene-UN2531WLN: QVY1&U1alpha-Methylacrylic acid

Cross References

Trusted external identifiers retained for this final record.

Cas

115708-68-4

Herb

HBIN034823

Tcmsp

MOL008297

Sym Map

SMIT09605

Pub Chem

4093

Tcmbank

TCMBANKIN001503

Etcm Ingredient

Methakrylsaeure

Itcmdb Generated

ITX-INGREDIENT-5D3D0AFFBCC8

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)

Mol Wt

86.08999999999999

Cas Id

115708-68-4

Smiles

CC(=C)C(=O)O

Mol Log P

0.6471

Version

v1,v2

In Ch Ikey

CERQOIWHTDAKMF-UHFFFAOYSA-N

Ob Score

61.55361.5531098961.55311

Suppress

Num Hdonors

Drug Likeness

0.475

Num Hacceptors

Isomeric Smiles

CC(=C)C(=O)O

Molecule Weight

86.1

Canonical Smiles

CC(=C)C(=O)O

Herb Alias Names

METHACRYLIC ACID79-41-42-methylprop-2-enoic acid2-Methylacrylic acid2-Propenoic acid, 2-methyl-Methylacrylic acid2-Methylpropenoic acid2-Methyl-2-propenoic acidalpha-Methylacrylic acid2-Methylenepropionic acid

Molecular Weight

86.040

Molecular Weight

86.09 g/mol

Molecular Formula

C4H6O2

Molecular Formula

C4H6O2

Molecular Formula

C4H6O2

Num Rotatable Bonds

Fda Maximum Daily Dose (Fdamdd)

0.008

Quantitative Estimate Of Drug Likeness（Qed）

0.475