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34939-17-8

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Basic Information
CAS No.: 34939-17-8
Name: 4,5-Dimethyl-2-pyrimidinol
Molecular Structure:
Molecular Structure of 34939-17-8 (4,5-Dimethyl-2-pyrimidinol)
Formula: C6H8N2O
Molecular Weight: 124.142
Synonyms: 2(1H)-Pyrimidinone,4,5-dimethyl- (9CI);2-Pyrimidinol, 4,5-dimethyl- (6CI);2-Hydroxy-4,5-dimethylpyrimidine;
Density: 1.179 g/cm3
Boiling Point: 323.1 °C at 760 mmHg
Flash Point: 149.2 °C
PSA: 46.01000
LogP: 0.79900
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Specification

This chemical is called 4,5-Dimethyl-2-pyrimidinol, and it can also be named as 2-pyrimidinol, 4,5-dimethyl-. With the molecular formula of C6H8N2O, its molecular weight is 124.14. The CAS registry number of this chemical is 34939-17-8, and its product category is Pyrimidine.

Other characteristics of the 4,5-Dimethyl-2-pyrimidinol can be summarised as followings: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.65; (8)ACD/KOC (pH 7.4): 13.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 34.23 cm3; (15)Molar Volume: 105.3 cm3; (16)Polarizability: 13.57×10-24cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 149.2 °C; (20)Enthalpy of Vaporization: 58.75 kJ/mol; (21)Boiling Point: 323.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000141 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1/N=C\C(=C(/N1)C)C
2.InChI: InChI=1/C6H8N2O/c1-4-3-7-6(9)8-5(4)2/h3H,1-2H3,(H,7,8,9)
3.InChIKey: YIJYGMPPWWXWLA-UHFFFAOYAA