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| CAS No.: | 18514-84-6 |
|---|---|
| Name: | 1H-CINNOLIN-4-ONE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H6N2O |
| Molecular Weight: | 146.148 |
| Synonyms: | 1H-Cinnolin-4-one;1,4-Dihydro-4-cinnolinone;[1,8]Naphthyridin-4-ol; |
| Density: | 1.31 g/cm3 |
| Boiling Point: | 303.5 °C at 760 mmHg |
| Flash Point: | 137.3 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 45.75000 |
| LogP: | 0.92310 |
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- Total:22 Page 1 of 1 1
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Specification
The CAS register number of 4(1H)-Cinnolinone is 18514-84-6. It also can be called as 1H-Cinnolin-4-one and the systematic name about this chemical is cinnolin-4(1H)-one. The molecular formula about this chemical is C8H6N2O and the molecular weight is 146.14604.
Physical properties about 4(1H)-Cinnolinone are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): -1.8; (3)ACD/LogD (pH 7.4): -1.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67 Å2; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 41.27 cm3; (13)Molar Volume: 110.8 cm3; (14)Polarizability: 16.36x10-24cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 137.3 °C; (18)Enthalpy of Vaporization: 54.38 kJ/mol; (19)Boiling Point: 303.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000928 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)N/N=C/2
(2)InChI: InChI=1/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
(3)InChIKey: UFMBERDMCRCVSM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
(5)Std. InChIKey: UFMBERDMCRCVSM-UHFFFAOYSA-N