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| CAS No.: | 54802-19-6 |
|---|---|
| Name: | 5,6,7,8-TETRAHYDRO-2(1H)-QUINOLINONE |
| Molecular Structure: | |
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| Formula: | C9H11NO |
| Molecular Weight: | 149.192 |
| Synonyms: | Carbostyril,5,6,7,8-tetrahydro- (6CI,7CI);2-Hydroxy-5,6,7,8-tetrahydroquinoline;5,6,7,8-Tetrahydro-2-quinolone;5,6,7,8-Tetrahydroquinolin-2(1H)-one;NSC 99006; |
| Density: | 1.13 g/cm3 |
| Melting Point: | 204-205℃ |
| Boiling Point: | 402.4 °C at 760 mmHg |
| Flash Point: | 235.6 °C |
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Specification
This chemical is called 2(1H)-Quinolinone,5,6,7,8-tetrahydro-, and its systematic name is 5,6,7,8-tetrahydroquinolin-2(1H)-one. With the molecular formula of C9H11NO, its molecular weight is 149.1897. The CAS registry number of this chemical is 54802-19-6. Additionally, its product category is API Intermediates.
Other characteristics of the 2(1H)-Quinolinone,5,6,7,8-tetrahydro- can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.68; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 38.21; (8)ACD/KOC (pH 7.4): 38.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 42.76 cm3; (15)Molar Volume: 131.2 cm3; (16)Polarizability: 16.95×10-24cm3; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 235.6 °C; (20)Enthalpy of Vaporization: 65.35 kJ/mol; (21)Boiling Point: 402.4 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1/C=C\C2=C(/N1)CCCC2
2.InChI: InChI=1/C9H11NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h5-6H,1-4H2,(H,10,11)
3.InChIKey: SGKURJURKCHGJG-UHFFFAOYAO