Name: 5,6-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID
SKU: 51727-05-0

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Basic Information

Molecular Structure:
CAS No.:	51727-05-0
Name:	5,6-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	5,6-DIMETHYL-2-OXO-1,2-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID;
Density:	1.268 g/cm³
Boiling Point:	400.6 °C at 760 mmHg
Flash Point:	196.1 °C
Hazard Symbols:	Xi
PSA:	70.16000
LogP:	0.68990

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Specification

The 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid, with the CAS registry number 51727-05-0, is also known as 3-Pyridinecarboxylic acid, 1,2-dihydro-5,6-dimethyl-2-oxo-. This chemical's molecular formula is C₈H₉NO₃ and molecular weight is 167.16. Its IUPAC name is called 5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/LogD (pH 7.4): -3.33; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 41.25 cm³; (14)Molar Volume: 131.7 cm³; (15)Surface Tension: 44.5 dyne/cm; (16)Density: 1.268 g/cm³; (17)Flash Point: 196.1 °C; (18)Enthalpy of Vaporization: 71.49 kJ/mol; (19)Boiling Point: 400.6 °C at 760 mmHg; (20)Vapour Pressure: 1.55E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(NC(=O)C(=C1)C(=O)O)C
(2)InChI: InChI=1S/C8H9NO3/c1-4-3-6(8(11)12)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)(H,11,12)
(3)InChIKey: RRZTUQQCXRBPRG-UHFFFAOYSA-N