3-Phenanthrenol (605-87-8)

The 3-Phenanthrol, with the CAS registry number 605-87-8, is also known as NSC 30984 and Phenanthrene, 3-hydroxy-. 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 formula weight is 194.23. What's more, both its IUPAC name and systematic name are the same which is called Phenanthren-3-ol. This chemical is tan solid and it can be used as metabolite of phenanthrene.

Physical properties about this chemical 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): 584.67; (6)ACD/BCF (pH 7.4): 580.8; (7)ACD/KOC (pH 5.5): 3327.74; (8)ACD/KOC (pH 7.4): 3305.69; (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)Surface Tension: 57.5 dyne/cm; (17)Enthalpy of Vaporization: 68.15 kJ/mol; (18)Vapour Pressure: 4.02E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)O
(2)InChI: InChI=1S/C14H10O/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,15H
(3)InChIKey: NGPOABOEXMDQBT-UHFFFAOYSA-N