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CAS Number: 3839-20-1
5-cyano-1-naphthoic acid

Structure

5-cyano-1-naphthoic acid
Name: 5-cyano-1-naphthoic acid
Synonyms:
General Information
Product Number: 3839201

CAS Registry Number 3839-20-1
Name:
1-​Naphthalenecarboxyli​c acid, 5-​cyano-
1-Naphthoic acid, 5-cyano- (7CI,8CI)
5-Cyano-1-naphthalenecarboxylic acid

 

Chemical Formula: C12H7NO2
Exact Mass: 197.05
Molecular Weight: 197.19
m/z: 197.05 (100.0%), 198.05 (13.1%), 199.05 (1.2%)

 

InChI:InChI=1S/C12H7NO2/c13-7-8-3-1-5-10-9(8)4-2-6-11(10)12(14)15/h1-6H,(H,14,15)

InChI Key:YBVPGIIGESADCT-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C=CC=C(C2=C1)C(=O)O)C#N

 

Thermal Properties Value Condition Note
Melting Point 260-260.5 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) Dewar, Michael J. S.; Journal of the American Chemical Society 1962, V84, P3541-6 CAPLUS
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