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| CAS No.: | 82121-08-2 |
|---|---|
| Name: | 4-HYDROXY-7-METHOXYQUINOLINE |
| Molecular Structure: | |
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| Formula: | C10H9NO |
| Molecular Weight: | 159.188 |
| Synonyms: | 4-Hydroxy-7-methylquinoline;7-Methyl-4-quinolinol; |
| Density: | 1.15 g/cm3 |
| Boiling Point: | 286.4 °C at 760 mmHg |
| Flash Point: | 129.2 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 33.12000 |
| LogP: | 2.24880 |
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Specification
This chemical is called 4-Quinolinol, 7-methyl-, and its systematic name is 7-methylquinolin-4(1H)-one. With the molecular formula of C10H9NO, its molecular weight is 159.18. The CAS registry number of this chemical is 82121-08-2.
Other characteristics of the 4-Quinolinol, 7-methyl- can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.13; (6)ACD/BCF (pH 7.4): 104.21; (7)ACD/KOC (pH 5.5): 967.6; (8)ACD/KOC (pH 7.4): 968.37; (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: 1.584; (14)Molar Refractivity: 46.33 cm3; (15)Molar Volume: 138.3 cm3; (16)Polarizability: 18.36×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.15 g/cm3; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 52.56 kJ/mol; (21)Boiling Point: 286.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00264 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\2c1c(cc(cc1)C)N/C=C/2
2.InChI: InChI=1/C10H9NO/c1-7-2-3-8-9(6-7)11-5-4-10(8)12/h2-6H,1H3,(H,11,12)
3.InChIKey: JPVTWKDGBWUNBQ-UHFFFAOYAX