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4811-16-9

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Basic Information
CAS No.: 4811-16-9
Name: 6-Hydroxymethyl-2-methyl-pyridin-3-ol
Article Data: 8
Molecular Structure:
Molecular Structure of 4811-16-9 (6-Hydroxymethyl-2-methyl-pyridin-3-ol)
Formula: C7H9NO2
Molecular Weight: 139.1519
Synonyms: 2-Pyridinemethanol, 5-hydroxy-6-methyl-;
Density: 1.251 g/cm3
Boiling Point: 380.1 °C at 760 mmHg
Flash Point: 183.6 °C;
PSA: 53.35000
LogP: 0.58790
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Specification

The 6-Hydroxymethyl-2-methyl-pyridin-3-ol, with the CAS registry number 4811-16-9, is also known as 2-Pyridinemethanol, 5-hydroxy-6-methyl-. This chemical's molecular formula is C7H9NO2 and molecular weight is 139.1519. What's more, both its IUPAC name and systematic name are the same which is called 6-(Hydroxymethyl)-2-methylpyridin-3-ol.

Physical properties about 6-Hydroxymethyl-2-methyl-pyridin-3-ol are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 7.47; (5)ACD/KOC (pH 7.4): 10.26; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 53.35 Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 37.5 cm3; (12)Molar Volume: 111.1 cm3; (13)Polarizability: 14.86×10-24 cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.251 g/cm3; (16)Flash Point: 183.6 °C; (17)Enthalpy of Vaporization: 66.26 kJ/mol; (18)Boiling Point: 380.1 °C at 760 mmHg; (19)Vapour Pressure: 1.87E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(CO)nc1C
(2) InChI: InChI=1/C7H9NO2/c1-5-7(10)3-2-6(4-9)8-5/h2-3,9-10H,4H2,1H3
(3) InChIKey: GCNVWKLOXABYCX-UHFFFAOYAB