CAS No.39977-44-1,METHYL-6-HYDROXYMETHYL-2-CARBOXYLATE PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39977-44-1
Name:	METHYL-6-HYDROXYMETHYL-2-CARBOXYLATE PYRIDINE
Article Data:	2

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	2-(Hydroxymethyl)-6-methoxycarbonylpyridine;6-(Hydroxymethyl)picolinic acid methyl ester;Methyl 6-(hydroxymethyl)-2-pyridinecarboxylate;Methyl 6-(hydroxymethyl)picolinate;
Density:	1.244 g/cm³
Boiling Point:	327.251 °C at 760 mmHg
Flash Point:	151.716 °C
PSA:	59.42000
LogP:	0.36050

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Specification

The CAS register number of 2-Pyridinecarboxylicacid, 6-(hydroxymethyl)-, methyl ester is 39977-44-1. It also can be called as Methyl 6-(hydroxymethyl)-2-pyridinecarboxylate and the systematic name about this chemical is methyl 6-(hydroxymethyl)pyridine-2-carboxylate. The molecular formula about this chemical is C₈H₉NO₃ and the molecular weight is 167.16.

Physical properties about 2-Pyridinecarboxylicacid, 6-(hydroxymethyl)-, methyl ester are: (1)ACD/LogP: 0.13; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10; (5)ACD/KOC (pH 7.4): 10; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 59.42Å²; (10)Index of Refraction: 1.546; (11)Molar Refractivity: 42.569 cm³; (12)Molar Volume: 134.366 cm³; (13)Polarizability: 16.876x10^-24cm³; (14)Surface Tension: 51.421 dyne/cm; (15)Flash Point: 151.716 °C; (16)Enthalpy of Vaporization: 60.12 kJ/mol; (17)Boiling Point: 327.251 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1nc(ccc1)CO
(2)InChI: InChI=1/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3
(3)InChIKey: DVIUNMLAPDJWHL-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H9NO3/c1-12-8(11)7-4-2-3-6(5-10)9-7/h2-4,10H,5H2,1H3
(5)Std. InChIKey: DVIUNMLAPDJWHL-UHFFFAOYSA-N