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156647-96-0

Basic Information
CAS No.: 156647-96-0
Name: 4-HYDROXY-6-METHYLPYRIMIDINE
Article Data: 13
Molecular Structure:
Molecular Structure of 156647-96-0 (4-HYDROXY-6-METHYLPYRIMIDINE)
Formula: C5H6N2O
Molecular Weight: 110.115
Synonyms: 6-Methylpyrimidin-4(1H)-one;6-methylpyrimidin-4(3H)-one;6-methylpyrimidin-4-ol;6-Methyl-pyrimidin-4-ol;
EINECS: 222-543-4
Density: 1.2±0.1 g/cm3
Boiling Point: 242.1±20.0 °C at 760 mmHg
Flash Point: 100.2±21.8 °C
PSA: 46.01000
LogP: 0.49060
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Specification

The 4-Pyrimidinol,6-methyl- is an organic compound with the formula C5H6N2O. The systematic name of this chemical is 6-Methylpyrimidin-4(3H)-one. With the CAS registry number 156647-96-0, it is also named as 4(3H)-Pyrimidinone, 6-methyl-. The product's category is Pyrimidine. Besides, its molecular weight is 110.11.

Physical properties about 4-Pyrimidinol,6-methyl- are: (1)ACD/LogP: -0.79; (2)ACD/LogD (pH 5.5): -0.79; (3)ACD/LogD (pH 7.4): -0.79; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.86; (7)ACD/KOC (pH 7.4): 8.78; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 29.8 cm3; (13)Molar Volume: 89.9 cm3; (14)Polarizability: 11.81×10-24 cm3; (15)Surface Tension: 42.8 dyne/cm; (16)Density: 1.22 g/cm3; (17)Flash Point: 70 °C; (18)Enthalpy of Vaporization: 42.83 kJ/mol; (19)Boiling Point: 192.1 °C at 760 mmHg; (20)Vapour Pressure: 0.496 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
(2)InChIKey: LHRIUKSRPHFASO-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C5H6N2O/c1-4-2-5(8)7-3-6-4/h2-3H,1H3,(H,6,7,8)
(4)Std. InChIKey: LHRIUKSRPHFASO-UHFFFAOYSA-N