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232-55-3

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Basic Information
CAS No.: 232-55-3
Name: 3H-Benz[e]indene
Article Data: 3
Molecular Structure:
Molecular Structure of 232-55-3 (3H-Benz[e]indene)
Formula: C13H10
Molecular Weight: 166.222
Synonyms: 3H-BENZ[E]INDENE
Density: 1.139 g/cm3
Melting Point: 48.5-50 °C
Boiling Point: 312.183 °C at 760 mmHg
Flash Point: 147.476 °C
PSA: 0.00000
LogP: 3.40910
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Specification

The 3H-Benz[e]indene has CAS registry number 232-55-3. This chemical's molecular formula is C13H10 and molecular weight is 166.22. What's more, its systematic name is 3H-Cyclopenta[a]naphthalene.

Physical properties about the 3H-Benz[e]indene are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 821; (6)ACD/BCF (pH 7.4): 821; (7)ACD/KOC (pH 5.5): 4245; (8)ACD/KOC (pH 7.4): 4245; (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: 1.692; (14)Molar Refractivity: 55.873 cm3; (15)Molar Volume: 145.934 cm3; (16)Surface Tension: 50.334 dyne/cm; (17)Density: 1.139 g/cm3; (18)Flash Point: 147.476 °C; (19)Enthalpy of Vaporization: 53.11 kJ/mol; (21)Boiling Point: 312.183 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c3c2ccc1c(\C=C/C1)c2ccc3
(2) InChI: InChI=1/C13H10/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-4,6-9H,5H2
(3) InChIKey: USPJQUFZLZTSBK-UHFFFAOYAN