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CAS Number: 85452-78-4
(E)-3-(1H-indol-3-yl)acrylonitrile

Structure

(E)-3-(1H-indol-3-yl)acrylonitrile
Name: (E)-3-(1H-indol-3-yl)acrylonitrile
Synonyms:
General Information
Product Number: 85452784

CAS Registry Number 85452-78-4
Name:
2-?Propenenitrile, 3-?(1H-?indol-?3-?yl)?-?, (2E)?-
2-Propenenitrile, 3-(1H-indol-3-yl)-, (E)-

 

Chemical Formula: C11H8N2
Exact Mass: 168.07
Molecular Weight: 168.19
m/z: 168.07 (100.0%), 169.07 (12.6%)

 

InChI:InChI=1S/C11H8N2/c12-7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-6,8,13H/b4-3+

InChI Key:GQCABHQDRZQIOP-ONEGZZNKSA-N

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C=CC#N

 

Thermal Properties Value Condition Note
Melting Point 143-144 °C   (2)CAS
Melting Point 135-137 °C   (1)IC

Specification

98%

References
  1. (1) Brooks, Stephen; Tetrahedron 1982, V38(20), P3019-22 CAPLUS
  2. (2) Slaett, Johnny; Journal of Heterocyclic Chemistry 2005, V42(1), P141-145 CAPLUS
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