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5-Hydroxy-2-pyrimidinecarboxylic acid

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Name

5-Hydroxy-2-pyrimidinecarboxylic acid

EINECS N/A
CAS No. 345642-87-7 Density 1.613 g/cm3
PSA 83.31000 LogP -0.11960
Solubility N/A Melting Point N/A
Formula C5H4N2O3 Boiling Point 478.841 °C at 760 mmHg
Molecular Weight 140.10 Flash Point 243.394 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 345642-87-7 (2-Pyrimidinecarboxylic acid, 5-hydroxy- (9CI)) Hazard Symbols N/A
Synonyms

5-HYDROXY-2-PYRIMIDINECARBOXYLIC ACID

 

5-Hydroxy-2-pyrimidinecarboxylic acid Specification

This chemical is called 5-Hydroxy-2-pyrimidinecarboxylic acid, and it can also be named as 2-Carboxy-5-pyrimidinol. With the molecular formula of C5H4N2O3, its molecular weight is 140.10. The CAS registry number of this chemical is 345642-87-7, and its product category is  pyrimidine.

Other characteristics of the 5-Hydroxy-2-pyrimidinecarboxylic acid can be summarised as followings: (1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 83.31 Å2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 31.247 cm3; (12)Molar Volume: 86.84 cm3; (13)Polarizability: 12.387×10-24cm3; (14)Surface Tension: 97.256 dyne/cm; (15)Density: 1.613 g/cm3; (16)Flash Point: 243.394 °C; (17)Enthalpy of Vaporization: 78.27 kJ/mol; (18)Boiling Point: 478.841 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1c(cnc(n1)C(=O)O)O
2.InChI: InChI=1/C5H4N2O3/c8-3-1-6-4(5(9)10)7-2-3/h1-2,8H,(H,9,10)
3.InChIKey: GJEGYXYPWJJUPE-UHFFFAOYAN

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