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CAS Number: 16209-00-0
4-(1H-pyrazol-1-yl)benzoic acid

Structure

 4-(1H-pyrazol-1-yl)benzoic acid
Name: 4-(1H-pyrazol-1-yl)benzoic acid
Synonyms:
General Information
Product Number: 16209000

CAS Registry Number 16209-00-0
Name:
Benzoic acid, 4-?(1H-?pyrazol-?1-?yl)?-
Benzoic acid, p-pyrazol-1-yl- (7CI,8CI)
4-(1H-Pyrazol-1-yl)benzoic acid
4-(1-Pyrazolyl)benzoic acid

 

Chemical Formula: C10H8N2O2
Exact Mass: 188.06
Molecular Weight: 188.18
m/z: 188.06 (100.0%), 189.06 (11.7%)

 

InChI:InChI=1S/C10H8N2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,(H,13,14)

InChI Key:XOEKYPIBVOGCDG-UHFFFAOYSA-N

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

Specification

98%
References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Porcelloni, Marina; ChemMedChem 2008, V3(7), P1048-1060 CAPLUS
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