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CAS Number: 129488-74-0
4-(2-cyanopropan-2-yl)benzoic acid

Structure

 4-(2-cyanopropan-2-yl)benzoic acid
Name: 4-(2-cyanopropan-2-yl)benzoic acid
Synonyms:
General Information
Product Number: 129488740

CAS Registry Number 129488-74-0
Name:
Benzoic acid, 4-?(1-?cyano-?1-?methylethyl)?-
4-(1-Cyano-1-methylethyl)benzoic acid
4-(2-Cyanopropan-2-yl)benzoic acid

 

Chemical Formula: C11H11NO2
Exact Mass: 189.08
Molecular Weight: 189.21
m/z: 189.08 (100.0%), 190.08 (12.3%)

 

InChI:InChI=1S/C11H11NO2/c1-11(2,7-12)9-5-3-8(4-6-9)10(13)14/h3-6H,1-2H3,(H,13,14)

InChI Key:MAVFXLXXHAMJTB-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 172-178 °C   (2)IC

Specification

98%
References
  1. (2) Von der Saal, Wolfgang; DE 3830054 A1 1990 CAPLUS
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