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CAS Number: 21962-45-8
4-formyl-3-methoxybenzonitrile

Structure

4-formyl-3-methoxybenzonitrile
Name: 4-formyl-3-methoxybenzonitrile
Synonyms:
General Information
Product Number: 21962458
CAS Registry Number: 21962-45-8
Name:
Benzonitrile, 4-​formyl-​3-​methoxy-
Terephthalaldehydoni​trile, 3-​methoxy- (8CI); 2-​Methoxy-​4-​cyanobenzaldehyde; 4-​Cyano-​2-​methoxybenzaldehyde 
 
Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)
Elemental Analysis: C, 67.07; H, 4.38; N, 8.69; O, 19.86
 
InChI: InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3
InChIKey: ZXENVSJZOHXCKL-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=CC(=C1)C#N)C=O
 
Thermal Properties Value Condition Note
Melting Point 109-111 °C   (1)CAS

Specification

98%

References
  1. (1) Patrick, Donald A.; Journal of Medicinal Chemistry 2007, V50(10), P2468-2485 CAPLUS
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