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| CAS No.: | 17056-99-4 |
|---|---|
| Name: | 5-Hydroxyquinoxaline |
| Molecular Structure: | |
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| Formula: | C8H6N2O |
| Molecular Weight: | 146.148 |
| Synonyms: | 5-Quinoxalinol;8-Quinoxalinol; |
| Density: | 1.348 g/cm3 |
| Melting Point: | 100-102℃ |
| Boiling Point: | 319.993 °C at 760 mmHg |
| Flash Point: | 147.327 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 46.01000 |
| LogP: | 1.33540 |
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Specification
The 5-Hydroxyquinoxaline with the CAS number 17056-99-4 is also called 5-Quinoxalinol. The systematic name is quinoxalin-5-ol. Its molecular formula is C8H6N2O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 5-Hydroxyquinoxaline are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 101; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.01 Å2; (13)Index of Refraction: 1.705; (14)Molar Refractivity: 42.16 cm3; (15)Molar Volume: 108.427 cm3; (16)Polarizability: 16.713×10-24cm3; (17)Surface Tension: 70.708 dyne/cm; (18)Enthalpy of Vaporization: 58.398 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cccc2nccnc12
(2)InChI: InChI=1/C8H6N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h1-5,11H
(3)InChIKey: ZUQDDQFXSNXEOD-UHFFFAOYAF