Basic Information | Post buying leads | Suppliers |
Name |
5-Hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
EINECS | N/A |
CAS No. | 43077-77-6 | Density | 1.708 g/cm3 |
PSA | 90.65000 | LogP | 0.19100 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5NO4 | Boiling Point | 374.6 °C at 760 mmHg |
Molecular Weight | 155.11 | Flash Point | 180.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Hydroxy-4-oxo-1H-pyridine-2-carboxylic acid; |
The 5-Hydroxy-4-oxo-1, 4-dihydropyridine-2-carboxylic acid, with the CAS registry number of 43077-77-6, is also known as 4, 5-Dihydroxy-pyridine-2-carboxylic acid. This chemical's molecular formula is C6H5NO4 and molecular weight is 155.1082. What's more, its IUPAC name is 5-Hydroxy-4-oxo-1H-pyridine-2-carboxylic acid.
Physical properties about 5-Hydroxy-4-oxo-1, 4-dihydropyridine-2-carboxylic acid are: (1)ACD/LogP: -1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.45; (4)ACD/LogD (pH 7.4): -5.18; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 33.43 cm3; (15)Molar Volume: 90.7 cm3; (16)Surface Tension: 91.8 dyne/cm; (17)Density: 1.708 g/cm3; (18)Flash Point: 180.4 °C; (19)Enthalpy of Vaporization: 71.96 kJ/mol; (20)Boiling Point: 374.6 °C at 760 mmHg; (21)Vapour Pressure: 3.83E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(\C(=O)O)N/C=C1/O
(2) InChI: InChI=1/C6H5NO4/c8-4-1-3(6(10)11)7-2-5(4)9/h1-2,9H,(H,7,8)(H,10,11)
(3) InChIKey: GMYHFMYEZAGTBN-UHFFFAOYAJ