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17597-70-5

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Basic Information
CAS No.: 17597-70-5
Name: 3,5,8,10-tetramethylcyclopenta[ef]heptalene
Molecular Structure:
Molecular Structure of 17597-70-5 (3,5,8,10-tetramethylcyclopenta[ef]heptalene)
Formula: C18H18
Molecular Weight: 234.341
Synonyms: 3,5,8,10-Tetramethylcycloheptaazulene;
Density: 1.039 g/cm3
Boiling Point: 389.1 °C at 760 mmHg
Flash Point: 207 °C
PSA: 0.00000
LogP: 5.22660
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Specification

The CAS registry number of Cyclopenta[ef]heptalene,3,5,8,10-tetramethyl- is 17597-70-5. This chemical's molecular formula is C18H18 and molecular weight is 234.3355. What's more, its systematic name is 3,5,8,10-Tetramethylcycloheptaazulene.

Physical properties about Cyclopenta[ef]heptalene,3,5,8,10-tetramethyl- are: (1) ACD/LogP: 6.25; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6.25; (4) ACD/LogD (pH 7.4): 6.25; (5) ACD/BCF (pH 5.5): 33318.76; (6) ACD/BCF (pH 7.4): 33318.76; (7) ACD/KOC (pH 5.5): 60106.98; (8) ACD/KOC (pH 7.4): 60106.98; (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: 1.619; (14) Molar Refractivity: 79.14 cm3; (15) Molar Volume: 225.4 cm3; (16) Polarizability: 31.37×10-24 cm3; (17) Surface Tension: 38.5 dyne/cm; (18) Density: 1.039 g/cm3; (19) Flash Point: 207 °C; (20) Enthalpy of Vaporization: 61.34 kJ/mol; (21) Boiling Point: 389.1 °C at 760 mmHg; (22) Vapour Pressure: 6.56E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(cc2\C=C(/C=C(\c3ccc(c(c1)C)c23)C)C)C
(2) InChI: InChI=1/C18H18/c1-11-7-13(3)16-5-6-17-14(4)8-12(2)10-15(9-11)18(16)17/h5-10H,1-4H3
(3) InChIKey: AINPHPVLIAVCOW-UHFFFAOYAO