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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 2,4-DIMETHYLBENZOIC ACID

SMILES

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

InChI

InChIKey=BKYWPNROPGQIFZ-UHFFFAOYSA-N
InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)7(2)5-6/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 Sat Dec 16 12:13:52 GMT 2023
Edited
by admin
on Sat Dec 16 12:13:52 GMT 2023
Record UNII
1QJD7P2UWB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIMETHYLBENZOIC ACID
Systematic Name English
BENZOIC ACID, 2,4-DIMETHYL-
Common Name English
4-CARBOXY-1,3-DIMETHYLBENZENE
Systematic Name English
NSC-407532
Code English
Code System Code Type Description
FDA UNII
1QJD7P2UWB
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID2060595
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
PUBCHEM
11897
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
CHEBI
64811
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-246-2
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
NSC
407532
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
CAS
611-01-8
Created by admin on Sat Dec 16 12:13:52 GMT 2023 , Edited by admin on Sat Dec 16 12:13:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE