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CAS Number: 5653-20-3
3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanenitrile

Structure

3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanenitrile
Name: 3-(4-hydroxy-3-methoxyphenyl)-3-oxopropanenitrile
Synonyms:
General Information
Product Number: 5653203

CAS Registry Number 5653-20-3
Name:
Benzenepropanenitril?e, 4-?hydroxy-?3-?methoxy-?β-?oxo-
Acetonitrile, vanilloyl- (8CI)

 

Chemical Formula: C10H9NO3
Exact Mass: 191.06
Molecular Weight: 191.18
m/z: 191.06 (100.0%), 192.06 (11.4%), 193.06 (1.2%)

 

InChI:InChI=1S/C10H9NO3/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,13H,4H2,1H3

InChI Key:WDTOTJQKNABFJL-UHFFFAOYSA-N

Canonical SMILES:COC1=C(C=CC(=C1)C(=O)CC#N)O

 

Thermal Properties Value Condition Note
Melting Point 152-153 °C   (2)CAS
Melting Point 150 °C   (1)CAS

Specification

98%

References
  1. (1) Blum, Galia; Journal of Biological Chemistry 2003, V278(42), P40442-40454 CAPLUS
  2. (2) Brickman, Leo; Canadian Journal of Research, Section B: Chemical Sciences 1941, V19, B, P24-33 CAPLUS
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