Product Name

  • Name

    CHEMBRDG-BB 4002882

  • EINECS
  • CAS No. 33821-58-8
  • Article Data4
  • CAS DataBase
  • Density 1.346 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H7NO3
  • Boiling Point 311.056 °C at 760 mmHg
  • Molecular Weight 153.14
  • Flash Point 141.922 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 33821-58-8 (CHEMBRDG-BB 4002882)
  • Hazard Symbols
  • Synonyms 6-Methyl-4-oxo-1H-pyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 4-hydroxy-6-methyl-;4-Hydroxy-6-methylnicotinic acid;4-Hydroxy-6-methylpyridine-3-carboxylic acid;
  • PSA 70.16000
  • LogP 0.38150

6-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid Specification

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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