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| CAS No.: | 13148-22-6 |
|---|---|
| Name: | 3-hydroxy-2-phenyl-1H-phenalen-1-one |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C19H12O2 |
| Molecular Weight: | 272.30 |
| Synonyms: | 3-Hydroxy-2-phenyl-1H-phenalen-1-one |
| Density: | 1.364 g/cm3 |
| Boiling Point: | 492.4 °C at 760 mmHg |
| Flash Point: | 208.8 °C |
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Specification
The 1H-Phenalen-1-one,3-hydroxy-2-phenyl- has the CAS registry number 13148-22-6. This chemical's molecular formula is C19H12O2 and molecular weight is 272.30. What's more, its systematic name is 3-hydroxy-2-phenyl-1H-phenalen-1-one.
Physical properties of 1H-Phenalen-1-one,3-hydroxy-2-phenyl- are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 186.92; (6)ACD/BCF (pH 7.4): 3.22; (7)ACD/KOC (pH 5.5): 744.86; (8)ACD/KOC (pH 7.4): 12.85; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 82.03 cm3; (15)Molar Volume: 199.5 cm3; (16)Polarizability: 32.51×10-24cm3; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.364 g/cm3; (19)Flash Point: 208.8 °C; (20)Enthalpy of Vaporization: 79.97 kJ/mol; (21)Boiling Point: 492.4 °C at 760 mmHg; (22)Vapour Pressure: 1.64E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3C(=C(/O)c2cccc1cccc3c12)/c4ccccc4
(2)Std. InChI: InChI=1S/C19H12O2/c20-18-14-10-4-8-12-9-5-11-15(16(12)14)19(21)17(18)13-6-2-1-3-7-13/h1-11,20H
(3)Std. InChIKey: LVSVQSJLQSCHRK-UHFFFAOYSA-N