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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MESITYLACETIC ACID

SMILES

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

InChI

InChIKey=CQWMQAKKAHTCSC-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3,(H,12,13)

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
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 12:16:24 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:24 GMT 2023
Record UNII
3D4D9H5LJW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MESITYLACETIC ACID
Common Name English
(2,4,6-TRIMETHYLPHENYL)ACETIC ACID
Systematic Name English
NSC-11348
Code English
2-(2,4,6-TRIMETHYLPHENYL)ACETIC ACID
Systematic Name English
BENZENEACETIC ACID, 2,4,6-TRIMETHYL-
Systematic Name English
2,4,6-TRIMETHYLBENZENEACETIC ACID
Systematic Name English
Code System Code Type Description
CAS
4408-60-0
Created by admin on Sat Dec 16 12:16:24 GMT 2023 , Edited by admin on Sat Dec 16 12:16:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-556-0
Created by admin on Sat Dec 16 12:16:24 GMT 2023 , Edited by admin on Sat Dec 16 12:16:24 GMT 2023
PRIMARY
NSC
11348
Created by admin on Sat Dec 16 12:16:24 GMT 2023 , Edited by admin on Sat Dec 16 12:16:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID40196032
Created by admin on Sat Dec 16 12:16:24 GMT 2023 , Edited by admin on Sat Dec 16 12:16:24 GMT 2023
PRIMARY
PUBCHEM
78123
Created by admin on Sat Dec 16 12:16:24 GMT 2023 , Edited by admin on Sat Dec 16 12:16:24 GMT 2023
PRIMARY
FDA UNII
3D4D9H5LJW
Created by admin on Sat Dec 16 12:16:24 GMT 2023 , Edited by admin on Sat Dec 16 12:16:24 GMT 2023
PRIMARY