The CAS registry number of 3-Pyridinecarboxylic acid, 1,4-dihydro-6-methyl-4-oxo- is 33821-58-8. The IUPAC name is 6-methyl-4-oxo-1H-pyridine-3-carboxylic acid. In addition, the molecular formula is C7H7NO3 and the molecular weight is 153.14. What's more, it should be stored in a cool and dry place.
Physical properties about 3-Pyridinecarboxylic acid, 1,4-dihydro-6-methyl-4-oxo- are: (1)ACD/LogP: -0.37; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -4; (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: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 66.4 Å2; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 36.552 cm3; (14)Molar Volume: 113.798 cm3; (15)Polarizability: 14.49 ×10-24cm3; (16)Surface Tension: 51.004 dyne/cm; (17)Density: 1.346 g/cm3; (18)Flash Point: 141.922 °C; (19)Enthalpy of Vaporization: 60.697 kJ/mol; (20)Boiling Point: 311.056 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C(/C)N\C=C1\C(=O)O
(2)InChI: InChI=1/C7H7NO3/c1-4-2-6(9)5(3-8-4)7(10)11/h2-3H,1H3,(H,8,9)(H,10,11)
(3)InChIKey: AOJLDZLRTUWFFY-UHFFFAOYAG
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