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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4
Molecular Weight 168.1467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVANILLIC ACID

SMILES

COC1=CC=C(C=C1O)C(O)=O

InChI

InChIKey=LBKFGYZQBSGRHY-UHFFFAOYSA-N
InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOVANILLIC ACID
Common Name English
3-HYDROXY-P-ANISIC ACID
Systematic Name English
3-HYDROXY-4-METHOXYBENZOIC ACID
Systematic Name English
Code System Code Type Description
CHEBI
63798
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
FDA UNII
A8D1DUX2PR
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
ECHA (EC/EINECS)
211-430-5
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID40214745
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
CAS
645-08-9
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY
PUBCHEM
12575
Created by admin on Sat Dec 16 09:22:08 GMT 2023 , Edited by admin on Sat Dec 16 09:22:08 GMT 2023
PRIMARY