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Details

Stereochemistry ACHIRAL
Molecular Formula C14H16O3
Molecular Weight 232.275
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Cyclopropylcarbonyl)-α,α-dimethylbenzeneacetic acid

SMILES

CC(C)(C(O)=O)C1=CC=C(C=C1)C(=O)C2CC2

InChI

InChIKey=LOWWEULESZKQRF-UHFFFAOYSA-N
InChI=1S/C14H16O3/c1-14(2,13(16)17)11-7-5-10(6-8-11)12(15)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C14H16O3
Molecular Weight 232.275
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 19:20:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:10 GMT 2023
Record UNII
TXE8LW4B8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Cyclopropylcarbonyl)-α,α-dimethylbenzeneacetic acid
Systematic Name English
Benzeneacetic acid, 4-(cyclopropylcarbonyl)-α,α-dimethyl-
Systematic Name English
2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
TXE8LW4B8G
Created by admin on Sat Dec 16 19:20:10 GMT 2023 , Edited by admin on Sat Dec 16 19:20:10 GMT 2023
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PUBCHEM
9856066
Created by admin on Sat Dec 16 19:20:10 GMT 2023 , Edited by admin on Sat Dec 16 19:20:10 GMT 2023
PRIMARY
CAS
162096-54-0
Created by admin on Sat Dec 16 19:20:10 GMT 2023 , Edited by admin on Sat Dec 16 19:20:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID60431856
Created by admin on Sat Dec 16 19:20:10 GMT 2023 , Edited by admin on Sat Dec 16 19:20:10 GMT 2023
PRIMARY