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CAS Number: 4080-83-5
3-(3-acetamidophenyl)propanoic acid

Structure

 3-(3-acetamidophenyl)propanoic acid
Name: 3-(3-acetamidophenyl)propanoic acid
Synonyms:
General Information
Product Number: 4080835

CAS Registry Number 4080-83-5
Name:
Benzenepropanoic acid, 3-?(acetylamino)?-
Hydrocinnamic acid, m-acetamido- (7CI,8CI)

 

Chemical Formula: C11H13NO3
Exact Mass: 207.09
Molecular Weight: 207.23
m/z: 207.09 (100.0%), 208.09 (12.4%)

 

InChI:InChI=1S/C11H13NO3/c1-8(13)12-10-4-2-3-9(7-10)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)

InChI Key:NXVJTIYWMPQVFS-UHFFFAOYSA-N

Canonical SMILES:CC(=O)NC1=CC=CC(=C1)CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 162 °C   (1)CAS
Melting Point 162 °C Solv: ethanol (64-17-5) (2)IC

Specification

98%
References
  1. (1) De, A. K.; Journal of the Indian Chemical Society 1928, V5, P29-31 CAPLUS
  2. (2) Biggs, D. F.; Journal of Medicinal Chemistry 1976, V19(4), P472-5 CAPLUS
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