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30235-16-6

Basic Information
CAS No.: 30235-16-6
Name: 6-Methyl-4-nitropyridine-2-carboxylic acid
Article Data: 4
Molecular Structure:
Molecular Structure of 30235-16-6 (6-Methyl-4-nitropyridine-2-carboxylic acid)
Formula: C7H6N2O4
Molecular Weight: 182.136
Synonyms: Picolinicacid, 6-methyl-4-nitro- (8CI);
Density: 1.477 g/cm3
Boiling Point: 378 °C at 760 mmHg
Flash Point: 182.4 °C
PSA: 96.01000
LogP: 1.51960
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Specification

The 2-Pyridinecarboxylicacid, 6-methyl-4-nitro- is an organic compound with the formula C7H6N2O4. The systematic name of this chemical is 6-Methyl-4-nitropyridine-2-carboxylic acid. The CAS registry number of this chemical is 30235-16-6. Besides, its molecular weight is 182.13354.

The physical properties of 2-Pyridinecarboxylicacid, 6-methyl-4-nitro- are: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -2.94; (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: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 85.01 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 42.64 cm3; (14)Molar Volume: 123.3 cm3; (15)Polarizability: 16.9×10-24 cm3; (16)Surface Tension: 70 dyne/cm; (17)Density: 1.477 g/cm3; (18)Flash Point: 182.4 °C; (19)Enthalpy of Vaporization: 66.02 kJ/mol; (20)Boiling Point: 378 °C at 760 mmHg; (21)Vapour Pressure: 2.18E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(nc(c1)C)C(=O)O
(2)InChI: InChI=1/C7H6N2O4/c1-4-2-5(9(12)13)3-6(8-4)7(10)11/h2-3H,1H3,(H,10,11)
(3)InChIKey: ZTEYOLHGMGAMGQ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H6N2O4/c1-4-2-5(9(12)13)3-6(8-4)7(10)11/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: ZTEYOLHGMGAMGQ-UHFFFAOYSA-N