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CAS Number: 16490-02-1
pyrimidine-4,6-dicarboxylic acid

Structure

 pyrimidine-4,6-dicarboxylic acid
Name: pyrimidine-4,6-dicarboxylic acid
Synonyms:
General Information
Product Number: 16490021

CAS Registry Number 16490-02-1
Name:
4,?6-?Pyrimidinedicarboxyl?ic acid
NSC 44347

 

Chemical Formula: C6H4N2O4
Exact Mass: 168.02
Molecular Weight: 168.11
m/z: 168.02 (100.0%), 169.02 (6.7%), 170.02 (1.1%)

 

InChI:InChI=1S/C6H4N2O4/c9-5(10)3-1-4(6(11)12)8-2-7-3/h1-2H,(H,9,10)(H,11,12)

InChI Key:XIEOKRXVAACBHI-UHFFFAOYSA-N

Canonical SMILES:C1=C(N=CN=C1C(=O)O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 238-240 °C   (1)CAS
Melting Point 218 °C (decomp)   (2)CAS

Specification

98%
References
  1. (1) Rose, Nathan R.; Journal of Medicinal Chemistry 2008, V51(22), P7053-7056 CAPLUS
  2. (2) Hunt, R. R.; Journal of the Chemical Society 1959, P525-30 CAPLUS
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