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The 1-Phenanthrenol, with the CAS registry number 2433-56-9, is also known as 1-Hydroxyphenanthrene. It belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals. This chemical's molecular formula is C14H10O and molecular weight is 194.23. What's more, its IUPAC name is phenanthren-1-ol.
Physical properties of 1-Phenanthrenol are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 584.65; (6)ACD/BCF (pH 7.4): 578.94; (7)ACD/KOC (pH 5.5): 3327.6; (8)ACD/KOC (pH 7.4): 3295.09; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 63.81 cm3; (15)Molar Volume: 156 cm3; (16)Polarizability: 25.3×10-24cm3; (17)Surface Tension: 57.5 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 197.7 °C; (20)Enthalpy of Vaporization: 68.15 kJ/mol; (21)Boiling Point: 404.5 °C at 760 mmHg; (22)Vapour Pressure: 4.02E-07 mmHg at 25°C.
Preparation of 1-Phenanthrenol: this chemical can be prepared by 1-methoxy-9-diazofluorene at the temperature of 450 °C. The yield is about 42%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC=C3O
(2)InChI: InChI=1S/C14H10O/c15-14-7-3-6-12-11-5-2-1-4-10(11)8-9-13(12)14/h1-9,15H
(3)InChIKey: GTBXZWADMKOZQJ-UHFFFAOYSA-N