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20672-23-5

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Basic Information
CAS No.: 20672-23-5
Name: 3,5-dimethylcyclopenta[ef]heptalene
Molecular Structure:
Molecular Structure of 20672-23-5 (3,5-dimethylcyclopenta[ef]heptalene)
Formula: C16H14
Molecular Weight: 206.287
Synonyms: 3,5-Dimethylaceheptylene;3,5-Dimethylcyclopenta[ef]heptalene;
Density: 1.069g/cm3
Boiling Point: 359 °C at 760 mmHg
Flash Point: 183.7 °C
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Specification

The Cyclopenta[ef]heptalene,3,5-dimethyl-, with CAS registry number 20672-23-5, has the systematic name of 3,5-dimethylcyclopenta[ef]heptalene. Its molecular weight is 206.2824. And the chemical formula of this chemical is C16H14.

Physical properties of Cyclopenta[ef]heptalene,3,5-dimethyl-: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.33; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 6658.43; (6)ACD/BCF (pH 7.4): 6658.43; (7)ACD/KOC (pH 5.5): 18982.82; (8)ACD/KOC (pH 7.4): 18982.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 69.49 cm3; (15)Molar Volume: 192.9 cm3; (16)Polarizability: 27.55×10-24cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.069 g/cm3; (19)Flash Point: 183.7 °C; (20)Enthalpy of Vaporization: 58.07 kJ/mol; (21)Boiling Point: 359 °C at 760 mmHg; (22)Vapour Pressure: 5.07E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2\C=C(/C=C(\c3ccc(cc1)c23)C)C
(2)InChI: InChI=1/C16H14/c1-11-9-12(2)15-8-7-13-5-3-4-6-14(10-11)16(13)15/h3-10H,1-2H3
(3)InChIKey: WZDANNXTVDLMBK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C16H14/c1-11-9-12(2)15-8-7-13-5-3-4-6-14(10-11)16(13)15/h3-10H,1-2H3
(5)Std. InChIKey: WZDANNXTVDLMBK-UHFFFAOYSA-N