Name: 5-HYDROXYPYRIDINE-3,4-DICARBOXYLIC ACID METHYL ESTER
SKU: 243980-03-2

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Basic Information

Molecular Structure:
CAS No.:	243980-03-2
Name:	5-HYDROXYPYRIDINE-3,4-DICARBOXYLIC ACID METHYL ESTER
Article Data:	1

Formula:	C₈H₇NO₅
Molecular Weight:	197.147
Synonyms:	5-Hydroxypyridine-3,4-dicarboxylic acid 4-methyl ester;QC-9270;OR4210;
Density:	1.499 g/cm³
Boiling Point:	476.2 °C at 760 mmHg
Flash Point:	241.8 °C
PSA:	96.72000
LogP:	0.27200

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Specification

The 3,4-Pyridinedicarboxylicacid, 5-hydroxy-, 4-methyl ester is an organic compound with the formula C₈H₇NO₅. The systematic name of this chemical is 5-hydroxy-4-(methoxycarbonyl)pyridine-3-carboxylic acid. With the CAS registry number 243980-03-2, it is also named as 5-Hydroxy-4-(methoxycarbonyl)nicotinic acid.

Physical properties about 3,4-Pyridinedicarboxylicacid, 5-hydroxy-, 4-methyl ester are: (1)ACD/LogP: 0.59; (2)ACD/LogD (pH 5.5): -2.24; (3)ACD/LogD (pH 7.4): -2.6; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 74.72 Å²; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 44.92 cm³; (14)Molar Volume: 131.5 cm³; (15)Polarizability: 17.81×10^-24cm³; (16)Surface Tension: 72.2 dyne/cm; (17)Density: 1.499 g/cm³; (18)Flash Point: 241.8 °C; (19)Enthalpy of Vaporization: 77.93 kJ/mol; (20)Boiling Point: 476.2 °C at 760 mmHg; (21)Vapour Pressure: 7.12E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1c(cncc1O)C(=O)O
(2)InChI: InChI=1/C8H7NO5/c1-14-8(13)6-4(7(11)12)2-9-3-5(6)10/h2-3,10H,1H3,(H,11,12)
(3)InChIKey: KIMCKQKZVLZPLS-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7NO5/c1-14-8(13)6-4(7(11)12)2-9-3-5(6)10/h2-3,10H,1H3,(H,11,12)
(5)Std. InChIKey: KIMCKQKZVLZPLS-UHFFFAOYSA-N