Name: 5-(hydroxymethyl) pyridin-2(1H)-one
SKU: 109205-68-7

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Basic Information

Molecular Structure:
CAS No.:	109205-68-7
Name:	5-(hydroxymethyl) pyridin-2(1H)-one
Article Data:	6

Formula:	C₆H₇NO₂
Molecular Weight:	125.127
Synonyms:	3-Hydroxymethyl-6-hydroxypyridine;5-Hydroxymethyl-1H-pyridin-2-one;
Density:	1.225 g/cm³
Boiling Point:	428.035 °C at 760 mmHg
Flash Point:	212.668 °C
PSA:	53.35000
LogP:	0.27950

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Specification

The 5-(Hydroxymethyl)pyridin-2(1H)-one with the cas number 109205-68-7 is also called 2(1H)-Pyridinone,5-(hydroxymethyl)-. Its molecular formula is C₆H₇NO₂. The product's category is PYRIDINE. It should be stored in dry and cool environment.

The properties of the chemical 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): 5.7; (5)ACD/KOC (pH 7.4): 5.7; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 49.33 Å²; (10)Index of Refraction: 1.538; (11)Molar Refractivity: 31.96 cm³; (12)Molar Volume: 102.1 cm³; (13)Polarizability: 12.67×10^-24cm³; (14)Surface Tension: 43.7 dyne/cm; (15)Enthalpy of Vaporization: 78.88 kJ/mol; (16)Vapour Pressure: 4.03×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC\C1=C\NC(=O)\C=C1
(2)InChI: InChI=1/C6H7NO2/c8-4-5-1-2-6(9)7-3-5/h1-3,8H,4H2,(H,7,9)
(3)InChIKey: JLPOBAADYFDVAV-UHFFFAOYAA