CAS No.1194-74-7,4(1H)-Pyrimidinone, 6-hydroxy-2,5-dimethyl- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1194-74-7
Name:	4(1H)-Pyrimidinone, 6-hydroxy-2,5-dimethyl- (9CI)

Formula:	C₆H₈N₂O₂
Molecular Weight:	140.142
Synonyms:	4(1H)-Pyrimidinone,6-hydroxy-2,5-dimethyl- (9CI);4,6-Pyrimidinediol, 2,5-dimethyl- (7CI,8CI);2,5-Dimethyl-4,6-dihydroxypyrimidine;2,5-Dimethylpyrimidine-4,6-diol;4,6-Dihydroxy-2,5-dimethylpyrimidine;NSC 40214;
Density:	1.36 g/cm³
Melting Point:	>360 °C
Boiling Point:	302.5 °C at 760 mmHg
Flash Point:	136.8 °C
PSA:	65.98000
LogP:	0.09230

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Specification

The 4(3H)-Pyrimidinone,6-hydroxy-2,5-dimethyl-, with the CAS registry number 1194-74-7, is also known as 6-Hydroxy-2,5-dimethylpyrimidin-4(1H)-one. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₆H₈N₂O₂ and molecular weight is 140.13992. What's more, its systematic name is called 6-Hydroxy-2,5-dimethylpyrimidin-4(3H)-one.

Physical properties about 4(3H)-Pyrimidinone,6-hydroxy-2,5-dimethyl- are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.9 Å²; (11)Index of Refraction: 1.599; (12)Molar Refractivity: 35.08 cm³; (13)Molar Volume: 102.6 cm³; (14)Surface Tension: 45.7 dyne/cm; (15)Density: 1.36 g/cm³; (16)Flash Point: 136.8 °C; (17)Enthalpy of Vaporization: 56.45 kJ/mol; (18)Boiling Point: 302.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000549 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C(=C(/O)\N=C(/N1)C)C
(2) InChI: InChI=1/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h1-2H3,(H2,7,8,9,10)
(3) InChIKey: PLDSMEIYCNSPIC-UHFFFAOYAW