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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O2
Molecular Weight 150.1745
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEMELLITIC ACID

SMILES

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

InChI

InChIKey=RIZUCYSQUWMQLX-UHFFFAOYSA-N
InChI=1S/C9H10O2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3,(H,10,11)

HIDE SMILES / InChI

Approval Year

Name Type Language
HEMELLITIC ACID
Common Name English
NSC-407533
Code English
2,3-DIMETHYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2,3-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
210-058-0
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY
CHEBI
64823
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY
CAS
603-79-2
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY
PUBCHEM
11782
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY
FDA UNII
7IRP8CA267
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY
NSC
407533
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID50209061
Created by admin on Sat Dec 16 12:29:58 GMT 2023 , Edited by admin on Sat Dec 16 12:29:58 GMT 2023
PRIMARY