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42429-92-5

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Basic Information
CAS No.: 42429-92-5
Name: 1,2,3,4-TETRAHYDROFLUORANTHENE
Article Data: 2
Molecular Structure:
Molecular Structure of 42429-92-5 (1,2,3,4-TETRAHYDROFLUORANTHENE)
Formula: C16H14
Molecular Weight: 206.287
Synonyms: Fluoranthene, 1, 2, 3, 4-tetrahydro-;
Density: 1.16 g/cm3
Melting Point: 76 °C
Boiling Point: 501.3 °C at 760 mmHg
Flash Point: 213.9 °C
PSA: 0.00000
LogP: 2.44200
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Specification

The Fluoranthene, 7, 8, 9, 10-tetrahydro-, with the CAS registry number 42429-92-5, is also known as Fluoranthene, 1, 2, 3, 4-tetrahydro-. This chemical's molecular formula is C16H14 and molecular weight is 206.28. What's more, its systematic name is 1, 2, 3, 4-Tetrahydrofluoranthene.

Physical properties about Fluoranthene, 7, 8, 9, 10-tetrahydro- are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 776.78; (6)ACD/BCF (pH 7.4): 776.78; (7)ACD/KOC (pH 5.5): 4078.28; (8)ACD/KOC (pH 7.4): 4078.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 66.05 cm3; (15)Molar Volume: 176.3 cm3; (16)Polarizability: 26.18×10-24 cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.16 g/cm3; (19)Flash Point: 213.9 °C; (20)Enthalpy of Vaporization: 74.09 kJ/mol; (21)Boiling Point: 501.3 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C/2CCC=1C\C=C/C=3C=1/C\2=C\4/C=C\C=C/C=3/4
(2) InChI: InChI=1/C16H14/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-3,7-9H,4-6,10H2
(3) InChIKey: HWEWZSACZIURKQ-UHFFFAOYAR