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CAS Number: 39547-16-5
3-(5-methoxy-1H-indol-3-yl)propanoic acid

Structure

3-(5-methoxy-1H-indol-3-yl)propanoic acid
Name: 3-(5-methoxy-1H-indol-3-yl)propanoic acid
Synonyms:
General Information
Product Number: 39547165

CAS Registry Number 39547-16-5
Name:
1H-​Indole-​3-​propanoic acid, 5-​methoxy-
Indole-3-propionic acid, 5-methoxy- (6CI)
3-(5-Methoxy-1H-indol-3-yl)propanoic acid
5-Methoxy-3-indolepropionic acid

 

Chemical Formula: C12H13NO3
Exact Mass: 219.09
Molecular Weight: 219.24
m/z: 219.09 (100.0%), 220.09 (13.5%)

 

InChI:InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)

InChI Key:ZLSZCJIWILJKMR-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)NC=C2CCC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 136 °C   (2)CAS
Melting Point 134-135 °C   (3)CAS
Melting Point 133-135 °C Solv: chloroform (67-66-3); hexane (110-54-3) (1)IC

Specification

98%

References
  1. (1) Farlow, Diane S.; Organic Preparations and Procedures International 1981, V13(1), P39-48 CAPLUS
  2. (2) Barrett, Herbert S. B.; Journal of the Chemical Society 1929, P2942-6 CAPLUS
  3. (3) Rensen, M.; Bulletin des Societes Chimiques Belges 1959, V68, P258-69 CAPLUS
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