U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O5
Molecular Weight 210.1834
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 4-(ACETYLOXY)-3-METHOXY-

SMILES

COC1=C(OC(C)=O)C=CC(=C1)C(O)=O

InChI

InChIKey=WTPDKEAYVAXNRO-UHFFFAOYSA-N
InChI=1S/C10H10O5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C10H10O5
Molecular Weight 210.1834
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 17:54:18 GMT 2025
Edited
by admin
on Tue Apr 01 17:54:18 GMT 2025
Record UNII
E0BUU7X0WD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOIC ACID, 4-(ACETYLOXY)-3-METHOXY-
Systematic Name English
NSC-408845
Preferred Name English
4-ACETOXY-3-METHOXYBENZOIC ACID
Systematic Name English
4-(ACETYLOXY)-3-METHOXYBENZOIC ACID
Systematic Name English
3-METHOXY-4-ACETOXYBENZOIC ACID
Systematic Name English
4-CARBOXY-2-METHOXYPHENOL ACETATE
Systematic Name English
O-ACETYLVANILLIC ACID
Systematic Name English
4-ACETOXYVANILLIC ACID
Systematic Name English
Code System Code Type Description
CAS
10543-12-1
Created by admin on Tue Apr 01 17:54:18 GMT 2025 , Edited by admin on Tue Apr 01 17:54:18 GMT 2025
PRIMARY
PUBCHEM
66346
Created by admin on Tue Apr 01 17:54:18 GMT 2025 , Edited by admin on Tue Apr 01 17:54:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
234-122-2
Created by admin on Tue Apr 01 17:54:18 GMT 2025 , Edited by admin on Tue Apr 01 17:54:18 GMT 2025
PRIMARY
FDA UNII
E0BUU7X0WD
Created by admin on Tue Apr 01 17:54:18 GMT 2025 , Edited by admin on Tue Apr 01 17:54:18 GMT 2025
PRIMARY
NSC
408845
Created by admin on Tue Apr 01 17:54:18 GMT 2025 , Edited by admin on Tue Apr 01 17:54:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID60147127
Created by admin on Tue Apr 01 17:54:18 GMT 2025 , Edited by admin on Tue Apr 01 17:54:18 GMT 2025
PRIMARY