IngredientID 9477

Acetyl oxide

C4H6O3

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Herb: 4Ingredient: 1Target: 12Links: 16

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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id: 9477
Core Entity Id: 13702
Source Entity Count: 1
Preferred Name: Acetyl oxide
Name En
Pubchem Id: 7918
Smiles Canonical: CC(=O)OC(=O)C
Molecular Formula: C4H6O3
Molecular Weight: 102.0890
Inchikey: WFDIJRYMOXRFFG-UHFFFAOYSA-N
Inchi: InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
Isomeric Smiles: CC(=O)OC(=O)C
Cas Id: 108-24-7
Ob Score: 45.1336
Mol Logp: 0.0960
Num H Donors: 0
Num H Acceptors: 3
Num Rotatable Bonds: 0
Drug Likeness: 0.3210
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name

Acetyl Oxide

Role

preferred

Source

SymMap_v2

Preferred

Yes

Name

Acetyl oxide

Role

preferred

Source

HERB_v2

Preferred

Yes

Name

Acetyl oxide

Role

preferred

Source

TCMBank

Preferred

Yes

Name

Acetyl oxide

Role

preferred

Source

itcmdb_public

Preferred

Yes

Name

108-24-7

Role

alias

Source

TCMBank

Preferred

Name

108-24-7

Role

alias

Source

itcmdb_public

Preferred

Name

108-24-7

Role

alias

Source

HERB_v2

Preferred

Name

110043_ALDRICH

Role

alias

Source

TCMBank

Preferred

Name

242845_SIAL

Role

alias

Source

TCMBank

Preferred

Name

320102_SIAL

Role

alias

Source

TCMBank

Preferred

Name

33214_RIEDEL

Role

alias

Source

TCMBank

Preferred

Name

4-02-00-00386 (Beilstein Handbook Reference)

Role

alias

Source

TCMBank

Preferred

Name

539996_SIAL

Role

alias

Source

TCMBank

Preferred

Name

91204_FLUKA

Role

alias

Source

TCMBank

Preferred

Name

A6404_SIAL

Role

alias

Source

TCMBank

Preferred

Name

ACETIC ANHYDRIDE

Role

alias

Source

HERB_v2

Preferred

Name

ACETIC ANHYDRIDE

Role

alias

Source

TCMBank

Preferred

Name

ACETIC ANHYDRIDE

Role

alias

Source

itcmdb_public

Preferred

Name

Acetanhydride

Role

alias

Source

HERB_v2

Preferred

Name

Acetanhydride

Role

alias

Source

TCMBank

Preferred

Name

Acetanhydride

Role

alias

Source

itcmdb_public

Preferred

Name

Acetic acid, anhydride

Role

alias

Source

HERB_v2

Preferred

Name

Acetic acid, anhydride

Role

alias

Source

itcmdb_public

Preferred

Name

Acetic anhydride [UN1715] [Corrosive]

Role

alias

Source

TCMBank

Preferred

Name

Acetic oxide

Role

alias

Source

TCMBank

Preferred

Name

Acetic oxide

Role

alias

Source

itcmdb_public

Preferred

Name

Acetic oxide

Role

alias

Source

HERB_v2

Preferred

Name

Acetyl acetate

Role

alias

Source

HERB_v2

Preferred

Name

Acetyl acetate

Role

alias

Source

itcmdb_public

Preferred

Name

Acetyl acetate

Role

alias

Source

TCMBank

Preferred

Name

Acetyl anhydride

Role

alias

Source

HERB_v2

Preferred

Name

Acetyl anhydride

Role

alias

Source

TCMBank

Preferred

Name

Acetyl anhydride

Role

alias

Source

itcmdb_public

Preferred

Name

Acetyl ether

Role

alias

Source

TCMBank

Preferred

Name

Anhydrid kyseliny octove [Czech]

Role

alias

Source

TCMBank

Preferred

Name

Anhydride acetique [French]

Role

alias

Source

TCMBank

Preferred

Name

Anidride acetica [Italian]

Role

alias

Source

TCMBank

Preferred

Name

Azijnzuuranhydride [Dutch]

Role

alias

Source

TCMBank

Preferred

Name

BRN 0385737

Role

alias

Source

TCMBank

Preferred

Name

CCRIS 688

Role

alias

Source

TCMBank

Preferred

Name

CHEBI:36610

Role

alias

Source

TCMBank

Preferred

Name

Caswell No. 003A

Role

alias

Source

TCMBank

Preferred

Name

EINECS 203-564-8

Role

alias

Source

TCMBank

Preferred

Name

EPA Pesticide Chemical Code 044007

Role

alias

Source

TCMBank

Preferred

Name

Essigsaeureanhydrid

Role

alias

Source

TCMBank

Preferred

Name

Essigsaeureanhydrid [German]

Role

alias

Source

TCMBank

Preferred

Name

Ethanoic anhydride

Role

alias

Source

HERB_v2

Preferred

Name

Ethanoic anhydride

Role

alias

Source

TCMBank

Preferred

Name

Ethanoic anhydride

Role

alias

Source

itcmdb_public

Preferred

Name

HSDB 233

Role

alias

Source

TCMBank

Preferred

Name

InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H

Role

alias

Source

TCMBank

Preferred

Name

NCGC00091802-01

Role

alias

Source

TCMBank

Preferred

Name

Octowy bezwodnik [Polish]

Role

alias

Source

TCMBank

Preferred

Name

ST5214434

Role

alias

Source

TCMBank

Preferred

Name

UN1715

Role

alias

Source

TCMBank

Preferred

Name

acetic acid anhydride

Role

alias

Source

TCMBank

Preferred

Name

anhydride acetique

Role

alias

Source

TCMBank

Preferred

Name

ethanoic anhydrate

Role

alias

Source

TCMBank

Preferred

Name

silane, acetyltrimethyl-

Role

alias

Source

TCMBank

Preferred

Aliases

Additional names normalized into the restored final schema.

108-24-7110043_ALDRICH242845_SIAL320102_SIAL33214_RIEDEL4-02-00-00386 (Beilstein Handbook Reference)539996_SIAL91204_FLUKAA6404_SIALACETIC ANHYDRIDEAcetanhydrideAcetic acid, anhydrideAcetic anhydride [UN1715] [Corrosive]Acetic oxideAcetyl acetateAcetyl anhydrideAcetyl etherAnhydrid kyseliny octove [Czech]Anhydride acetique [French]Anidride acetica [Italian]Azijnzuuranhydride [Dutch]BRN 0385737CCRIS 688CHEBI:36610Caswell No. 003AEINECS 203-564-8EPA Pesticide Chemical Code 044007EssigsaeureanhydridEssigsaeureanhydrid [German]Ethanoic anhydrideHSDB 233InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2HNCGC00091802-01Octowy bezwodnik [Polish]ST5214434UN1715acetic acid anhydrideanhydride acetiqueethanoic anhydratesilane, acetyltrimethyl-

Cross References

Trusted external identifiers retained for this final record.

Cas

108-24-7

Herb

HBIN014487

Npass

NPC37493

Tcmsp

MOL001898

Sym Map

SMIT04246

Pub Chem

7918

Tcmbank

TCMBANKIN015262

Attributes

Merged source attributes and domain-specific metadata.

Type

Other ingredients

In Ch I

InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3

Mol Wt

102.089

Cas Id

108-24-7

Smiles

CC(=O)OC(=O)C

Mol Log P

0.09599999999999997

Version

v1,v2

In Ch Ikey

WFDIJRYMOXRFFG-UHFFFAOYSA-N

Ob Score

45.1336025345.13360345.134

Suppress

Num Hdonors

Drug Likeness

0.321

Num Hacceptors

Isomeric Smiles

CC(=O)OC(=O)C

Molecule Weight

102.1

Canonical Smiles

CC(=O)OC(=O)C

Herb Alias Names

ACETIC ANHYDRIDEAcetyl acetate108-24-7AcetanhydrideEthanoic anhydrideAcetyl anhydrideAcetic acid, anhydrideacetic acid anhydrideAcetic oxide

Molecular Weight

102.09

Molecular Formula

C4H6O3

Molecular Formula

C4H6O3

Num Rotatable Bonds