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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

Molecular Formula C9H10O2
Molecular Weight 150.1745
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 19:18:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:18:30 GMT 2025
Record UNII
7IRP8CA267
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-407533
Preferred Name English
Hemellitic acid
Common Name 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 Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY
CHEBI
64823
Created by admin on Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY
CAS
603-79-2
Created by admin on Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY
PUBCHEM
11782
Created by admin on Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY
FDA UNII
7IRP8CA267
Created by admin on Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY
NSC
407533
Created by admin on Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID50209061
Created by admin on Tue Apr 01 19:18:30 GMT 2025 , Edited by admin on Tue Apr 01 19:18:30 GMT 2025
PRIMARY