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CAS No.: | 950265-42-6 |
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Name: | Methyl 4-hydroxy-6-methylquinoline-2-carboxylate |
Molecular Structure: | |
Formula: | C12H11NO3 |
Molecular Weight: | 217.224 |
Synonyms: | METHYL 4-HYDROXY-6-METHYLQUINOLINE-2-CARBOXYLATE |
Density: | 1.248g/cm3 |
Boiling Point: | 356.5 °C at 760 mmHg |
Flash Point: | 169.4 °C |
PSA: | 59.16000 |
LogP: | 1.62310 |
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The Methyl 4-hydroxy-6-methylquinoline-2-carboxylate, with CAS registry number 950265-42-6, has the systematic name of methyl 6-methyl-4-oxo-1H-quinoline-2-carboxylate. Its molecular weight is 217.2. And the chemical formula of this chemical is C12H11NO3.
Physical properties of Methyl 4-hydroxy-6-methylquinoline-2-carboxylate: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.92; (6)ACD/BCF (pH 7.4): 46.93; (7)ACD/KOC (pH 5.5): 547.01; (8)ACD/KOC (pH 7.4): 547.02; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.4 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 57.28 cm3; (15)Molar Volume: 173.9 cm3; (16)Polarizability: 22.7×10-24cm3; (17)Surface Tension: 46.2 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 60.18 kJ/mol; (21)Boiling Point: 356.5 °C at 760 mmHg; (22)Vapour Pressure: 2.91E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1)c(=O)cc([nH]2)C(=O)OC
(2)InChI: InChI=1/C12H11NO3/c1-7-3-4-9-8(5-7)11(14)6-10(13-9)12(15)16-2/h3-6H,1-2H3,(H,13,14)
(3)InChIKey: MRDGZDDDGVIAJY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H11NO3/c1-7-3-4-9-8(5-7)11(14)6-10(13-9)12(15)16-2/h3-6H,1-2H3,(H,13,14)
(5)Std. InChIKey: MRDGZDDDGVIAJY-UHFFFAOYSA-N