U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Methoxybenzoyl)propionic acid

SMILES

COC1=CC=C(C=C1)C(=O)CCC(O)=O

InChI

InChIKey=OMTDIBZSUZNVJK-UHFFFAOYSA-N
InChI=1S/C11H12O4/c1-15-9-4-2-8(3-5-9)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C11H12O4
Molecular Weight 208.2106
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 12:39:12 GMT 2023
Edited
by admin
on Sat Dec 16 12:39:12 GMT 2023
Record UNII
SN7GHW7M6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Methoxybenzoyl)propionic acid
Systematic Name English
β-(4-Methoxybenzoyl)propionic acid
Systematic Name English
NSC-12472
Code English
Benzenebutanoic acid, 4-methoxy-γ-oxo-
Systematic Name English
AI3-07210
Code English
4-Methoxy-γ-oxobenzenebutanoic acid
Systematic Name English
3-(p-Methoxybenzoyl)propanoic acid
Systematic Name English
3-(4-Methoxybenzoyl)propanoic acid
Systematic Name English
3-p-Anisoylpropionic acid
Systematic Name English
Propionic acid, 3-p-anisoyl-
Systematic Name English
3-(p-Methoxybenzoyl)propionic acid
Systematic Name English
Code System Code Type Description
FDA UNII
SN7GHW7M6E
Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023
PRIMARY
CAS
3153-44-4
Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-593-4
Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID50185432
Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023
PRIMARY
NSC
12472
Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023
PRIMARY
PUBCHEM
76613
Created by admin on Sat Dec 16 12:39:12 GMT 2023 , Edited by admin on Sat Dec 16 12:39:12 GMT 2023
PRIMARY