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203983-14-6

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Basic Information
CAS No.: 203983-14-6
Name: 2-ETHYL-4-PHENYLINDENE
Molecular Structure:
Molecular Structure of 203983-14-6 (2-ETHYL-4-PHENYLINDENE)
Formula: C17H16
Molecular Weight: 220.31
Synonyms: 2-Ethyl-4-phenylindene;2-Ethyl-7-phenylindene;
Density: 1.036 g/cm3
Boiling Point: 372.304 °C at 760 mmHg
Flash Point: 194.024 °C
PSA: 0.00000
LogP: 4.70310
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Specification

The 1H-Indene,2-ethyl-4-phenyl-, with the CAS registry number 203983-14-6, is also known as 2-Ethyl-4-phenylindene. This chemical's molecular formula is C17H16 and molecular weight is 220.31. What's more, its systematic name is called 2-Ethyl-4-phenyl-1H-indene.

Physical properties about 1H-Indene,2-ethyl-4-phenyl- are: (1) ACD/LogP: 5.88; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 6; (4) ACD/LogD (pH 7.4): 6; (5) ACD/BCF (pH 5.5): 14699; (6) ACD/BCF (pH 7.4): 14699; (7) ACD/KOC (pH 5.5): 33460; (8) ACD/KOC (pH 7.4): 33460; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.592; (14) Molar Refractivity: 71.945 cm3; (15) Molar Volume: 212.667 cm3; (16) Surface Tension: 38.165 dyne/cm; (17) Density: 1.036 g/cm3; (18) Flash Point: 194.024 °C; (19) Enthalpy of Vaporization: 59.511 kJ/mol; (20) Boiling Point: 372.304 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCC=1Cc2cccc(c2C=1)c3ccccc3
(2) InChI: InChI=1/C17H16/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14/h3-10,12H,2,11H2,1H3
(3) InChIKey: IQMKQIKLBXJNII-UHFFFAOYAQ