CAS No.24195-03-7,2,4-PYRIDINECARBOXYLIC ACID, 4-METHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24195-03-7
Name:	2,4-PYRIDINECARBOXYLIC ACID, 4-METHYL ESTER
Article Data:	7

Formula:	C₈H₇NO₄
Molecular Weight:	181.148
Synonyms:	4-Carbomethoxypyridine-2-carboxylic acid;Pyridine-2,4-dicarboxylic acid 4-monomethyl ester;4-(Methoxycarbonyl)pyridine-2-carboxylic acid;
EINECS:	200-258-5
Density:	1.361 g/cm³
Melting Point:	153-154 °C
Boiling Point:	366.8 °C at 760 mmHg
Flash Point:	175.6 °C
PSA:	76.49000
LogP:	0.56640

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Specification

The 2,4-Pyridinedicarboxylicacid, 4-methyl ester, with the CAS registry number 24195-03-7, is also known as 4-Carbomethoxypyridine-2-carboxylic acid. This chemical's molecular formula is C₈H₇NO₄ and molecular weight is 181.15. What's more, its systematic name is 4-(methoxycarbonyl)pyridine-2-carboxylic acid.

Physical properties of 2,4-Pyridinedicarboxylicacid, 4-methyl ester are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 76.49 Å²; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 43.04 cm³; (13)Molar Volume: 133 cm³; (14)Polarizability: 17.06×10^-24cm³; (15)Surface Tension: 58.7 dyne/cm; (16)Density: 1.361 g/cm³; (17)Flash Point: 175.6 °C; (18)Enthalpy of Vaporization: 64.7 kJ/mol; (19)Boiling Point: 366.8 °C at 760 mmHg; (20)Vapour Pressure: 5.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cc(ccn1)C(=O)OC
(2)InChI: InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-6(4-5)7(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: AWYZUHWYUSSDAI-UHFFFAOYSA-N