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CAS No.: | 63124-11-8 |
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Name: | 2-OXO-1,2-DIHYDROQUINOLINE-6-CARBONITRILE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C10H6N2O |
Molecular Weight: | 170.17 |
Synonyms: | 6-Cyano-2-quinolone;2-Oxo-1,2-dihydroquinoline-6-carbonitrile; |
Density: | 1.32 g/cm3 |
Boiling Point: | 420.2 °C at 760 mmHg |
Flash Point: | 207.9 °C |
PSA: | 56.65000 |
LogP: | 1.39978 |
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The 6-Quinolinecarbonitrile,1,2-dihydro-2-oxo-, with the CAS registry number 63124-11-8, is also known as 6-Cyano-2-quinolone. This chemical's molecular formula is C10H6N2O and molecular weight is 170.17. What's more, its systematic name is 2-Oxo-1,2-dihydroquinoline-6-carbonitrile.
Physical properties of 6-Quinolinecarbonitrile,1,2-dihydro-2-oxo- are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.56; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 103.18; (8)ACD/KOC (pH 7.4): 103.11; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.1 Å2; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 46.83 cm3; (15)Molar Volume: 128.2 cm3; (16)Polarizability: 18.56×10-24 cm3; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 207.9 °C; (20)Enthalpy of Vaporization: 67.4 kJ/mol; (21)Boiling Point: 420.2 °C at 760 mmHg; (22)Vapour Pressure: 2.86E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc1c(\C=C/C(=O)N1)c2
(2)InChI: InChI=1S/C10H6N2O/c11-6-7-1-3-9-8(5-7)2-4-10(13)12-9/h1-5H,(H,12,13)
(3)InChIKey: WXORYMJWFSZLIB-UHFFFAOYSA-N