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2-Benzyl-5,6-dihydroxy-4-pyrimidinecarboxylic acid
[CAS# 878649-59-3]

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Identification
Name 2-Benzyl-5,6-dihydroxy-4-pyrimidinecarboxylic acid
Synonyms 2-Benzyl-5,6-dihydroxy-pyrimidine-4; 4-Pyrimidinecarboxylic acid, 1,6-dihydro-5-hydroxy-6-oxo-2-(phenylmethyl)-
Molecular Structure CAS#: 878649-59-3, 2-Benzyl-5,6-dihydroxy-4-pyrimidinecarboxylic acid
Molecular Formula C12H10N2O4
Molecular Weight 246.22
CAS Registry Number 878649-59-3
SMILES C1=CC=C(C=C1)CC2=NC(=C(C(=N2)O)O)C(=O)O
InChI 1S/C12H10N2O4/c15-10-9(12(17)18)13-8(14-11(10)16)6-7-4-2-1-3-5-7/h1-5,15H,6H2,(H,17,18)(H,13,14,16)
InChIKey KKFDSUVIQPBLJU-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 502.9±50.0°C at 760 mmHg (Cal.)
Flash point 258.0±30.1°C (Cal.)
Refractive index 1.683 (Cal.)
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