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2-Hydroxymethylphenanthrene

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Name

2-Hydroxymethylphenanthrene

EINECS N/A
CAS No. 2606-54-4 Density 1.214 g/cm3
PSA 20.23000 LogP 3.48530
Solubility N/A Melting Point 122-123 °C
Formula C15H12O Boiling Point 423.386 °C at 760 mmHg
Molecular Weight 208.26 Flash Point 196.281 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2606-54-4 (2-HYDROXYMETHYLPHENANTHRENE) Hazard Symbols N/A
Synonyms

2-Hydroxymethylphenanthrene;2-Phenanthryl carbinol;

Article Data 8

2-Hydroxymethylphenanthrene Specification

The 2-Hydroxymethylphenanthrene with the cas number 2606-54-4 is also called 2-Phenanthrenemethanol. Both the systematic name and IUPAC name are phenanthren-2-ylmethanol. Its molecular formula is C15H12O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 267; (6)ACD/BCF (pH 7.4): 267; (7)ACD/KOC (pH 5.5): 1900; (8)ACD/KOC (pH 7.4): 1900; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 68.389 cm3; (15)Molar Volume: 171.482 cm3; (16)Polarizability: 27.112×10-24cm3; (17)Surface Tension: 55.706 dyne/cm; (18)Enthalpy of Vaporization: 71.445 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc2ccc3ccccc3c2cc1
(2)InChI: InChI=1/C15H12O/c16-10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)15/h1-9,16H,10H2
(3)InChIKey: HVPRQCPIJRYXQV-UHFFFAOYAS

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