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24202-79-7

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Basic Information
CAS No.: 24202-79-7
Name: 3-(METHOXYCARBONYL)ISONICOTINIC ACID
Article Data: 8
Molecular Structure:
Molecular Structure of 24202-79-7 (3-(METHOXYCARBONYL)ISONICOTINIC ACID)
Formula: C8H7NO4
Molecular Weight: 181.148
Synonyms: 3-(Methoxycarbonyl)pyridine-4-carboxylic acid;
Density: 1.363 g/cm3
Boiling Point: 432.5 °C at 760 mmHg
Flash Point: 215.4 °C
PSA: 76.49000
LogP: 0.56640
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Specification

The 3,4-Pyridinedicarboxylicacid, 3-methyl ester, with the CAS registry number 24202-79-7, is also known as 4-Pyridinecarboxylic acid, 3-(acetyloxy)-. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.15. What's more, its systematic name is called 3-(Acetyloxy)pyridine-4-carboxylic acid.

Physical properties about 3,4-Pyridinedicarboxylicacid, 3-methyl ester are: (1)ACD/LogP: -0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.82; (4)ACD/LogD (pH 7.4): -3.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 65.49 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 42.61 cm3; (15)Molar Volume: 132.8 cm3; (16)Surface Tension: 57; (17)Density: 1.363 g/cm3; (18)Flash Point: 215.4 °C; (19)Enthalpy of Vaporization: 72.55 kJ/mol; (20)Boiling Point: 432.5 °C at 760 mmHg; (21)Vapour Pressure: 3.01E-08 mmHg at 25 °C.

Preparation of 3,4-Pyridinedicarboxylicacid, 3-methyl ester: this chemical can be prepared by Pyridine-3,4-dicarboxylic acid anhydride with Methanol. This reaction needs solvent CH2Cl2 at ambient temperature. The reaction time is 18 hours. The yield is 82 %.

3,4-Pyridinedicarboxylicacid, 3-methyl ester can be prepared by Pyridine-3,4-dicarboxylic acid anhydride with Methanol.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1c(ccnc1)C(=O)O)C
(2) InChI: InChI=1S/C8H7NO4/c1-5(10)13-7-4-9-3-2-6(7)8(11)12/h2-4H,1H3,(H,11,12)
(3) InChIKey: TYOOQRTYNDVPMZ-UHFFFAOYSA-N