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2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid

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Name

2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid

EINECS N/A
CAS No. 954225-20-8 Density 1.417 g/cm3
PSA 72.19000 LogP 0.98980
Solubility N/A Melting Point N/A
Formula C12H10N2O3 Boiling Point 512.9 °C at 760 mmHg
Molecular Weight 230.22 Flash Point 264 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 954225-20-8 (2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid) Hazard Symbols N/A
Synonyms

2-oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid;3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-1-(3-pyridinylMethyl)-

 

2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid Specification

The CAS number of 2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid is 954225-20-8. Its molecular formula is C12H10N2O3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 70.5 Å2; (10)Index of Refraction: 1.651; (11)Molar Refractivity: 59.32 cm3; (12)Molar Volume: 162.3 cm3; (13)Polarizability: 23.51×10-24cm3; (14)Surface Tension: 73.4 dyne/cm; (15)Enthalpy of Vaporization: 82.57 kJ/mol; (16)Vapour Pressure: 2.4×10-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)C\2=C\C=C/N(Cc1cnccc1)C/2=O
(2)InChI: InChI=1/C12H10N2O3/c15-11-10(12(16)17)4-2-6-14(11)8-9-3-1-5-13-7-9/h1-7H,8H2,(H,16,17)
(3)InChIKey: RVZRRKIEIRGXJP-UHFFFAOYAM

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