CAS No.20721-18-0,2-HYDROXY-6-METHYLPYRAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	20721-18-0
Name:	2-HYDROXY-6-METHYLPYRAZINE
Article Data:	7

Formula:	C₅H₆N₂O
Molecular Weight:	110.115
Synonyms:	Pyrazinol,6-methyl- (6CI,7CI,8CI);6-Methyl-2(1H)-pyrazinone;6-Methylpyrazin-2-one;NSC143141;
Density:	1.22 g/cm³
Melting Point:	249-250 °C
Boiling Point:	376.195 °C at 760 mmHg
Flash Point:	181.316 °C
PSA:	46.01000
LogP:	0.49060

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Specification

The 2-Hydroxy-6-methylpyrazine, with the CAS registry number 20721-18-0, is also known as 6-Methyl-2(1H)-pyrazinone. This chemical's molecular formula is C₅H₆N₂O and molecular weight is 110.11. What's more, both its IUPAC name and systematic name are the same which is called 6-Methyl-1H-pyrazin-2-one.

Physical properties about 2-Hydroxy-6-methylpyrazine are: (1)ACD/LogP: 0.032; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.10; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.97; (8)ACD/KOC (pH 7.4): 1.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.01 Å²; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 29.142 cm³; (15)Molar Volume: 90.586 cm³; (16)Polarizability: 11.553×10^-24cm³; (17)Surface Tension: 56.38 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 181.316 °C; (20)Enthalpy of Vaporization: 64.827 kJ/mol; (21)Boiling Point: 376.195 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cncc(n1)O
(2) InChI: InChI=1S/C5H6N2O/c1-4-2-6-3-5(8)7-4/h2-3H,1H3,(H,7,8)
(3) InChIKey: KXUOIHWSSNTEPE-UHFFFAOYSA-N