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CAS No.: | 101382-53-0 |
---|---|
Name: | 6-METHYL-2-OXO-1,2-DIHYDROQUINOLIN-3-CARBALDEHYDE |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C11H9NO2 |
Molecular Weight: | 187.198 |
Synonyms: | 1,2-Dihydro-6-methyl-2-oxo-3-quinolinecarboxaldehyde;6-Methyl-2-oxo-1,2-dihydroquinoline-3-carboxaldehyde; |
Density: | 1.309 g/cm3 |
Melting Point: | >250 °C |
Boiling Point: | 430.2 °C at 760 mmHg |
Flash Point: | 198.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 49.93000 |
LogP: | 1.64900 |
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The 3-Quinolinecarboxaldehyde,1,2-dihydro-6-methyl-2-oxo-, with the CAS registry number 101382-53-0, is also known as 2-Hydroxy-6-methylquinoline-3-carbaldehyde. This chemical's molecular formula is C11H9NO2 and formula weight is 187.1947. What's more, its systematic name is called 6-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde.
Physical properties of 3-Quinolinecarboxaldehyde,1,2-dihydro-6-methyl-2-oxo-: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 45.88; (6)ACD/BCF (pH 7.4): 38.2; (7)ACD/KOC (pH 5.5): 526.57; (8)ACD/KOC (pH 7.4): 438.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.662; (13)Molar Refractivity: 52.93 cm3; (14)Molar Volume: 142.9 cm3; (15)Surface Tension: 59.5 dyne/cm; (16)Density: 1.309 g/cm3; (17)Flash Point: 198.7 °C; (18)Enthalpy of Vaporization: 68.57 kJ/mol; (19)Boiling Point: 430.2 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=CC\2=C\c1c(ccc(c1)C)NC/2=O
(2)InChI: InChI=1/C11H9NO2/c1-7-2-3-10-8(4-7)5-9(6-13)11(14)12-10/h2-6H,1H3,(H,12,14)
(3)InChIKey: ULNTVPBXVATJMS-UHFFFAOYAV