CAS No.14047-53-1,2-(HYDROXYMETHYL)PYRIDIN-3-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14047-53-1
Name:	2-(HYDROXYMETHYL)PYRIDIN-3-OL
Article Data:	10

Formula:	C₆H₇NO₂
Molecular Weight:	125.127
Synonyms:	2-(Hydroxymethyl)-3-pyridinol;2-Hydroxymethyl-3-hydroxypyridine;3-Hydroxy-2-(hydroxymethyl)pyridine;3-Hydroxy-2-pyridinemethanol;3-Hydroxy-2-pyridylmethanol;NSC 18473;
EINECS:	237-883-9
Density:	1.318 g/cm³
Melting Point:	132 °C
Boiling Point:	393.2 °C at 760 mmHg
Flash Point:	191.6 °C
PSA:	53.35000
LogP:	0.27950

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Specification

The 3-Hydroxy-2-pyridylmethanol, with the CAS registry number 14047-53-1, is also known as 2-Pyridinemethanol, 3-hydroxy-. It belongs to the product category of Pharmacetical. Its EINECS registry number is 237-883-9. This chemical's molecular formula is C₆H₇NO₂ and molecular weight is 125.12. Its IUPAC name and systematic name are the same which is called 2-(hydroxymethyl)pyridin-3-ol.

Physical properties of 3-Hydroxy-2-pyridylmethanol: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.07; (8)ACD/KOC (pH 7.4): 8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 32.67 cm³; (14)Molar Volume: 94.9 cm³; (15)Surface Tension: 65.4 dyne/cm; (16)Density: 1.318 g/cm³; (17)Flash Point: 191.6 °C; (18)Enthalpy of Vaporization: 67.83 kJ/mol; (19)Boiling Point: 393.2 °C at 760 mmHg; (20)Vapour Pressure: 6.87E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(N=C1)CO)O
(2)InChI: InChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,8-9H,4H2
(3)InChIKey: ZJRBRKUGRKKZOO-UHFFFAOYSA-N