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698-30-6

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Basic Information
CAS No.: 698-30-6
Name: 5-(HYDROXYMETHYL)-2-METHYLPYRIMIDIN-4-OL
Article Data: 7
Molecular Structure:
Molecular Structure of 698-30-6 (5-(HYDROXYMETHYL)-2-METHYLPYRIMIDIN-4-OL)
Formula: C6H8N2O2
Molecular Weight: 140.142
Synonyms: 4(1H)-Pyrimidinone,5-(hydroxymethyl)-2-methyl- (9CI);5-Pyrimidinemethanol, 4-hydroxy-2-methyl-(6CI,7CI,8CI);2-Methyl-4-hydroxy-5-hydroxymethylpyrimidine;Oxy-Pm;
Density: 1.342 g/cm3
Boiling Point: 308.984 °C at 760 mmHg
Flash Point: 140.669 °C
PSA: 66.24000
LogP: -0.01710
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Specification

The CAS register number of 4(3H)-Pyrimidinone,5-(hydroxymethyl)-2-methyl- is 698-30-6. It also can be called as 2-Methyl-4-hydroxy-5-hydroxymethylpyrimidine and the systematic name about this chemical is 5-(hydroxymethyl)-2-methylpyrimidin-4-ol. The molecular formula about this chemical is C6H8N2O2 and the molecular weight is 140.13992. It belongs to the Pyrimidine.

Physical properties about 4(3H)-Pyrimidinone,5-(hydroxymethyl)-2-methyl- are: (1)ACD/LogP: -0.39; (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: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 66.24Å2; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 35.593 cm3; (12)Molar Volume: 104.402 cm3; (13)Polarizability: 14.11x10-24cm3; (14)Surface Tension: 69.799 dyne/cm; (15)Enthalpy of Vaporization: 58.041 kJ/mol; (16)Boiling Point: 308.984 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1nc(C)ncc1CO
(2)InChI: InChI=1/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)
(3)InChIKey: ATTZFOQANXUZIP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C6H8N2O2/c1-4-7-2-5(3-9)6(10)8-4/h2,9H,3H2,1H3,(H,7,8,10)
(5)Std. InChIKey: ATTZFOQANXUZIP-UHFFFAOYSA-N