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CAS Number: 29953-71-7
(E)-3-(1H-indol-3-yl)acrylic acid

Structure

 (E)-3-(1H-indol-3-yl)acrylic acid
Name: (E)-3-(1H-indol-3-yl)acrylic acid
Synonyms:
General Information
Product Number: 29953717

CAS Registry Number 29953-71-7
Name:
2-?Propenoic acid, 3-?(1H-?indol-?3-?yl)?-?, (2E)?-
2-Propenoic acid, 3-(1H-indol-3-yl)-, (E)-
Indole-3-acrylic acid, (E)- (8CI)
(E)-3-(1H-Indol-3-yl)-2-propenoic acid
(E)-3-(1H-Indol-3-yl)prop-2-enoic acid
trans-3-Indoleacrylic acid

 

Chemical Formula: C11H9NO2
Exact Mass: 187.06
Molecular Weight: 187.19
m/z: 187.06 (100.0%), 188.07 (12.1%), 189.07 (1.1%)

 

InChI:InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+

InChI Key:PLVPPLCLBIEYEA-AATRIKPKSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O

 

Thermal Properties Value Condition Note
Melting Point 195-196 °C   (3)IC
Melting Point 183-185 °C   (4)IC

Specification

98%
References
  1. (3) Karminski-Zamola, Grace; Heterocycles 1985, V23(2), P313-16 CAPLUS
  2. (4) Kobayashi, Junichi; Heterocycles 1990, V31(12), P2205-8 CAPLUS
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