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101257-87-8

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Basic Information
CAS No.: 101257-87-8
Name: 5-Hydroxy-4-methylpyrimidine
Article Data: 2
Molecular Structure:
Molecular Structure of 101257-87-8 (5-Hydroxy-4-methylpyrimidine)
Formula: C5H6N2O
Molecular Weight: 110.11394
Synonyms: 4-Methyl-5-hydroxypyrimidine;4-Methylpyrimidin-5-ol;
Density: 1.216 g/cm3
Melting Point: 190 °C(Solv: ethyl acetate (141-78-6))
Boiling Point: 229.748 °C at 760 mmHg
Flash Point: 92.748 °C
PSA: 46.01000
LogP: 0.49060
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Specification

The CAS registry number of 5-Pyrimidinol,4-methyl- is 101257-87-8. It belongs to the product category of Pyrimidine. This chemical is also known as 5-Pyrimidinol, 4-methyl- (6CI,9CI). The molecular formula of it is C5H6N2O and molecular weight is 110.11394. Its systematic name is called 4-methylpyrimidin-5-ol.

Physical properties about this chemical are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 10; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.557; (11)Molar Refractivity: 29.142 cm3; (12)Molar Volume: 90.586 cm3; (13)Surface Tension: 56.384 dyne/cm; (14)Density: 1.216 g/cm3; (15)Flash Point: 92.748 °C; (16)Enthalpy of Vaporization: 48.532 kJ/mol; (17)Boiling Point: 229.748 °C at 760 mmHg; (18)Vapour Pressure: 0.045 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ncncc1O
(2)InChI: InChI=1/C5H6N2O/c1-4-5(8)2-6-3-7-4/h2-3,8H,1H3
(3)InChIKey: WPXHBJUNZGWFJD-UHFFFAOYAT