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CAS Number: 216959-91-0
4-(pyrimidin-5-yl)benzoic acid

Structure

 4-(pyrimidin-5-yl)benzoic acid
Name: 4-(pyrimidin-5-yl)benzoic acid
Synonyms:
General Information
Product Number: 216959910

CAS Registry Number 216959-91-0
Name:
Benzoic acid, 4-?(5-?pyrimidinyl)?-
4-(5-Pyrimidyl)benzoic acid
4-(Pyrimidin-5-yl)benzoic acid

 

Chemical Formula: C11H8N2O2
Exact Mass: 200.06
Molecular Weight: 200.19
m/z: 200.06 (100.0%), 201.06 (12.8%)

 

InChI:InChI=1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)

InChI Key:CCBKADQVSXLSDN-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1C2=CN=CN=C2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 218 °C   (2)CAS
Melting Point 218 °C   (1)CAS

Specification

98%
References
  1. (1) Holzer, Marcel; Open Medicinal Chemistry Journal 2008, V2, P21-25 CAPLUS
  2. (2) Holzer, Marcel; Archiv der Pharmazie (Weinheim, Germany) 2008, V341(8), P478-484 CAPLUS
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