Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Methyl-4-oxo-1H-quinoline-3-carboxylic acid |
EINECS | N/A |
CAS No. | 35973-18-3 | Density | 1.367 g/cm3 |
PSA | 70.42000 | LogP | 1.94700 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H9NO3 | Boiling Point | 381.7 °C at 760 mmHg |
Molecular Weight | 203.19 | Flash Point | 184.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Hydroxy-6-methylquinoline-3-carboxylic acid;3-Quinolinecarboxylic acid, 1,4-dihydro-6-methyl-4-oxo-;3-Quinolinecarboxylic acid, 4-hydroxy-6-methyl-; |
Article Data | 4 |
The 6-Methyl-4-oxo-1H-quinoline-3-carboxylic acid, with the CAS registry number 35973-18-3, is also known as 4-Hydroxy-6-methylquinoline-3-carboxylic acid. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.19. What's more, its systematic name is 6-Methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid.
Physical properties of 6-Methyl-4-oxo-1H-quinoline-3-carboxylic acid are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 52.43 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 20.78×10-24 cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 184.7 °C; (20)Enthalpy of Vaporization: 66.46 kJ/mol; (21)Boiling Point: 381.7 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O
(2)InChI: InChI=1S/C11H9NO3/c1-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)
(3)InChIKey: MBHYBSDKDMRZAA-UHFFFAOYSA-N