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CAS Number: 50685-26-2
4-(cyanomethyl)benzoic acid

Structure

4-(cyanomethyl)benzoic acid
Name: 4-(cyanomethyl)benzoic acid
Synonyms:
General Information
Product Number: 50685262

CAS Registry Number 50685-26-2
Name:
Benzoic acid, 4-?(cyanomethyl)?-
p-Toluic acid, α-cyano- (7CI)
4-(Cyanomethyl)benzoic acid
NSC 113990

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5H2,(H,11,12)

InChI Key:RSGBXCFAYHOKQZ-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CC#N)C(=O)O

Specification

98%

References
  1. (1) Takaya, Jun; Organic Letters 2008, V10(13), P2697-2700 CAPLUS
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