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Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O3
Molecular Weight 220.2643
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-(P-CUMOYL)PROPIONIC ACID

SMILES

CC(C)C1=CC=C(C=C1)C(=O)CCC(O)=O

InChI

InChIKey=CRTBQADLERFRSD-UHFFFAOYSA-N
InChI=1S/C13H16O3/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)

HIDE SMILES / InChI

Molecular Formula C13H16O3
Molecular Weight 220.2643
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 12:41:08 GMT 2023
Edited
by admin
on Sat Dec 16 12:41:08 GMT 2023
Record UNII
03706BK74M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-(P-CUMOYL)PROPIONIC ACID
Systematic Name English
4-(1-METHYLETHYL)-.GAMMA.-OXOBENZENEBUTANOIC ACID
Systematic Name English
4-(P-ISOPROPYLPHENYL)-4-OXOBUTYRIC ACID
Systematic Name English
BENZENEBUTANOIC ACID, 4-(1-METHYLETHYL)-.GAMMA.-OXO-
Systematic Name English
PROPIONIC ACID, 3-(P-ISOPROPYLBENZOYL)-
Systematic Name English
NSC-56154
Code English
BENZENEBUTANOIC ACID, 4-(1-METHYLETHYL)-GAMMA-OXO-
Common Name English
3-(4-ISOPROPYLBENZOYL)PROPIONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
96145
Created by admin on Sat Dec 16 12:41:08 GMT 2023 , Edited by admin on Sat Dec 16 12:41:08 GMT 2023
PRIMARY
CAS
6947-81-5
Created by admin on Sat Dec 16 12:41:08 GMT 2023 , Edited by admin on Sat Dec 16 12:41:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID40219694
Created by admin on Sat Dec 16 12:41:08 GMT 2023 , Edited by admin on Sat Dec 16 12:41:08 GMT 2023
PRIMARY
FDA UNII
03706BK74M
Created by admin on Sat Dec 16 12:41:08 GMT 2023 , Edited by admin on Sat Dec 16 12:41:08 GMT 2023
PRIMARY
NSC
56154
Created by admin on Sat Dec 16 12:41:08 GMT 2023 , Edited by admin on Sat Dec 16 12:41:08 GMT 2023
PRIMARY