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| CAS No.: | 6270-14-0 |
|---|---|
| Name: | 4-HYDROXY-7-NITROQUINOLINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H6N2O3 |
| Molecular Weight: | 190.158 |
| Synonyms: | 7-Nitroquinolin-4(1H)-one; |
| Density: | 1.419 g/cm3 |
| Melting Point: | 314-317 °C (decomp) |
| Boiling Point: | 358.3 °C at 760 mmHg |
| Flash Point: | 170.5 °C |
| PSA: | 78.94000 |
| LogP: | 2.37180 |
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- Total:12 Page 1 of 1 1
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Specification
The 7-Nitro-1H-quinolin-4-one, with the CAS registry number 6270-14-0, is also known as 7-Nitroquinolin-4(1H)-one. This chemical's molecular formula is C9H6N2O3 and molecular weight is 190.15554. What's more, its IUPAC name is 7-Nitro-1H-quinolin-4-one.
Physical properties about 7-Nitro-1H-quinolin-4-one are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 67.78; (6)ACD/BCF (pH 7.4): 32.85; (7)ACD/KOC (pH 5.5): 546.38; (8)ACD/KOC (pH 7.4): 264.82; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 48.05 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 19.05×10-24 cm3; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.419 g/cm3; (19)Flash Point: 170.5 °C; (20)Enthalpy of Vaporization: 60.37 kJ/mol; (21)Boiling Point: 358.3 °C at 760 mmHg; (22)Vapour Pressure: 2.58E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2c(c1)N/C=C\C2=O
(2) InChI: InChI=1/C9H6N2O3/c12-9-3-4-10-8-5-6(11(13)14)1-2-7(8)9/h1-5H,(H,10,12)
(3) InChIKey: MLPKSYLYDHCVOI-UHFFFAOYAP