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3739-81-9

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Basic Information
CAS No.: 3739-81-9
Name: 1-METHYL-1H-PYRIMIDIN-2-ONE
Article Data: 13
Molecular Structure:
Molecular Structure of 3739-81-9 (1-METHYL-1H-PYRIMIDIN-2-ONE)
Formula: C5H6N2O
Molecular Weight: 110.115
Synonyms: 1-Methyl-2(1H)-pyrimidinone;1-Methyl-2-pyrimidinone;1-Methyl-2-pyrimidone;NSC 193514;
Density: 1.14 g/cm3
Boiling Point: 180.6 °C at 760 mmHg
Flash Point: 63 °C
PSA: 34.89000
LogP: -0.21970
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Specification

The CAS register number of 2(1H)-Pyrimidinone,1-methyl- is 3739-81-9. It also can be called as 1-Methyl-2-pyrimidinone and the systematic name about this chemical is 1-methylpyrimidin-2-one. The molecular formula about this chemical is C5H6N2O and the molecular weight is 110.11394.

Physical properties about 2(1H)-Pyrimidinone,1-methyl- are: (1)ACD/LogP: -0.90; (2)ACD/LogD (pH 5.5): -0.9; (3)ACD/LogD (pH 7.4): -0.9; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.73; (7)ACD/KOC (pH 7.4): 7.74; (8)#H bond acceptors: 3; (9)Polar Surface Area: 32.67 Å2; (10)Index of Refraction: 1.552; (11)Molar Refractivity: 30.71 cm3; (12)Molar Volume: 96 cm3; (13)Polarizability: 12.17x10-24cm3; (14)Surface Tension: 42 dyne/cm; (15)Density: 1.14 g/cm3; (16)Flash Point: 63 °C; (17)Enthalpy of Vaporization: 41.69 kJ/mol; (18)Boiling Point: 180.6 °C at 760 mmHg; (19)Vapour Pressure: 0.888 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/N=C\C=C/N1C
(2)InChI: InChI=1/C5H6N2O/c1-7-4-2-3-6-5(7)8/h2-4H,1H3
(3)InChIKey: LQKMCBPMBNUKSU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H6N2O/c1-7-4-2-3-6-5(7)8/h2-4H,1H3
(5)Std. InChIKey: LQKMCBPMBNUKSU-UHFFFAOYSA-N