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7197-62-8

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Basic Information
CAS No.: 7197-62-8
Name: 1,1-Spirobiindan
Article Data: 4
Molecular Structure:
Molecular Structure of 7197-62-8 (1,1-Spirobiindan)
Formula: C17H16
Molecular Weight: 220.314
Synonyms: 1,1'-Spirobiindan(6CI,8CI);Bis-1,1'-spirohydrindene;
Density: 1.13 g/cm3
Boiling Point: 338.3 °C at 760 mmHg
Flash Point: 167.7 °C
PSA: 0.00000
LogP: 3.86510
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Specification

The CAS registry number of 1,1'-Spirobi[1H-indene],2,2',3,3'-tetrahydro- is 7197-62-8. In addition, the molecular formula is C17H16 and the molecular weight is 220.13. Its systematic name is 2,2',3,3'-tetrahydro-1,1'-spirobi[indene]. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1,1'-Spirobi[1H-indene],2,2',3,3'-tetrahydro- are: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 5647.61; (6)ACD/BCF (pH 7.4): 5647.61; (7)ACD/KOC (pH 5.5): 16872.41; (8)ACD/KOC (pH 7.4): 16872.41; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 70.52 cm3; (11)Molar Volume: 194.3 cm3; (12)Polarizability: 27.95 ×10-24cm3; (13)Surface Tension: 48 dyne/cm; (14)Density: 1.13 g/cm3; (15)Flash Point: 167.7 °C; (16)Enthalpy of Vaporization: 55.86 kJ/mol; (17)Boiling Point: 338.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000195 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc4c1CCC43CCc2ccccc23
(2)Std. InChI: InChI=1S/C17H16/c1-3-7-15-13(5-1)9-11-17(15)12-10-14-6-2-4-8-16(14)17/h1-8H,9-12H2
(3)Std. InChIKey: OPELWUSJOIBVJS-UHFFFAOYSA-N