Basic Information | Post buying leads | Suppliers |
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 | 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)- |
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