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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESITYLENE CARBOXYLIC ACID

SMILES

CC1=CC(C)=C(C(O)=O)C(C)=C1

InChI

InChIKey=FFFIRKXTFQCCKJ-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
MESITYLENE CARBOXYLIC ACID
Systematic Name English
NSC-1119
Preferred Name English
2,4,6-TRIMETHYLBENZOIC ACID
Systematic Name English
MESITYLENECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
4PU2HG6787
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
PUBCHEM
10194
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID6048200
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
CHEBI
64830
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
CAS
480-63-7
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-553-9
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
NSC
1119
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY
MESH
C019471
Created by admin on Mon Mar 31 20:04:33 GMT 2025 , Edited by admin on Mon Mar 31 20:04:33 GMT 2025
PRIMARY