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55996-28-6

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Basic Information
CAS No.: 55996-28-6
Name: 2-METHOXY-6-METHYL-4(1H)-PYRIMIDINONE
Article Data: 3
Molecular Structure:
Molecular Structure of 55996-28-6 (2-METHOXY-6-METHYL-4(1H)-PYRIMIDINONE)
Formula: C6H8N2O2
Molecular Weight: 140.142
Synonyms: 4(1H)-Pyrimidinone,2-methoxy-6-methyl- (9CI);4-Pyrimidinol, 2-methoxy-6-methyl- (6CI);2-Methoxy-6-methyl-4(3H)-pyrimidinone;4-Hydroxy-2-methoxy-6-methylpyrimidine;
Density: 1.252 g/cm3
Melting Point: 207-209℃
Boiling Point: 202.985 °C at 760 mmHg
Flash Point: 76.563 °C
PSA: 55.24000
LogP: 0.49920
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Specification

The 4(3H)-Pyrimidinone,2-methoxy-6-methyl-, with the CAS registry number 55996-28-6, is also known as 2-Methoxy-6-methyl-4(1H)-pyrimidinone. It belongs to the product categories of Pyrimidine; Pyrimidines. This chemical's molecular formula is C6H8N2O2 and molecular weight is 140.13992. What's more, its systematic name is called 2-Methoxy-6-methylpyrimidin-4(1H)-one.

Physical properties about 4(3H)-Pyrimidinone,2-methoxy-6-methyl- are: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 32; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.69 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 35.622 cm3; (15)Molar Volume: 111.898 cm3; (16)Surface Tension: 39.502 dyne/cm; (17)Density: 1.252 g/cm3; (18)Flash Point: 76.563 °C; (19)Enthalpy of Vaporization: 43.921 kJ/mol; (20)Boiling Point: 202.985 °C at 760 mmHg; (21)Vapour Pressure: 0.284 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1/N=C(/OC)N\C(=C\1)C
(2) InChI: InChI=1/C6H8N2O2/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
(3) InChIKey: CRYUGFDHGVCIJW-UHFFFAOYAV