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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 4-p-Tolylbutyric acid

SMILES

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

InChI

InChIKey=IXWOVMRDYFFXGI-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-9-5-7-10(8-6-9)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(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 19:27:36 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:36 GMT 2023
Record UNII
6CD42J3Z4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-p-Tolylbutyric acid
Common Name English
4-Methylbenzenebutanoic acid
Systematic Name English
NSC-57013
Code English
Benzenebutanoic acid, 4-methyl-
Systematic Name English
Butyric acid, 4-p-tolyl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20196434
Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023
PRIMARY
CAS
4521-22-6
Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023
PRIMARY
PUBCHEM
78279
Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-848-8
Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023
PRIMARY
NSC
57013
Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023
PRIMARY
FDA UNII
6CD42J3Z4Q
Created by admin on Sat Dec 16 19:27:36 GMT 2023 , Edited by admin on Sat Dec 16 19:27:36 GMT 2023
PRIMARY