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20291-74-1

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Basic Information
CAS No.: 20291-74-1
Name: 1,6-DIMETHYLPHENANTHRENE
Molecular Structure:
Molecular Structure of 20291-74-1 (1,6-DIMETHYLPHENANTHRENE)
Formula: C16H14
Molecular Weight: 206.287
Synonyms: 1,6-Dimethylphenanthrene;
Density: 1.084 g/cm3
Boiling Point: 369.6 °C at 760 mmHg
Flash Point: 168.4 °C
PSA: 0.00000
LogP: 4.60980
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Specification

The CAS register number of Phenanthrene,1,6-dimethyl- is 20291-74-1. The systematic name about this chemical is 1,6-dimethylphenanthrene. The molecular formula about this chemical is C16H14 and the molecular weight is 206.28.

Physical properties about Phenanthrene,1,6-dimethyl- are: (1)ACD/LogP: 5.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.6; (4)ACD/LogD (pH 7.4): 5.6; (5)ACD/BCF (pH 5.5): 10613.87; (6)ACD/BCF (pH 7.4): 10613.87; (7)ACD/KOC (pH 5.5): 26503.9; (8)ACD/KOC (pH 7.4): 26503.9; (9)Index of Refraction: 1.676; (10) Molar Refractivity: 71.58 cm3; (11)Molar Volume: 190.2 cm3; (12)Polarizability: 28.37x10-24cm3; (13)Surface Tension: 44.1 dyne/cm; (14)Flash Point: 168.4 °C; (15)Enthalpy of Vaporization: 59.22 kJ/mol; (16)Boiling Point: 369.6 °C at 760 mmHg; (17)Vapour Pressure: 2.49E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c3c(c2ccc1ccc(cc1c2cc3)C)C
(2)InChI: InChI=1/C16H14/c1-11-6-7-13-8-9-14-12(2)4-3-5-15(14)16(13)10-11/h3-10H,1-2H3
(3)InChIKey: YQMHHSZADKJARE-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C16H14/c1-11-6-7-13-8-9-14-12(2)4-3-5-15(14)16(13)10-11/h3-10H,1-2H3
(5)Std. InChIKey: YQMHHSZADKJARE-UHFFFAOYSA-N