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4551-51-3

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Basic Information
CAS No.: 4551-51-3
Name: CIS-HYDRINDANE
Article Data: 7
Molecular Structure:
Molecular Structure of 4551-51-3 (CIS-HYDRINDANE)
Formula: C9H16
Molecular Weight: 124.226
Synonyms: 1H-Indene,octahydro-, cis-;Indan, hexahydro-, cis- (8CI);cis-Bicyclo[4.3.0]nonane;cis-Hexahydroindan;cis-Hydrindan;cis-Perhydroindene;
EINECS: 207-813-1
Density: 0.882 g/cm3
Melting Point: -36.8°C
Boiling Point: 161 °C at 760 mmHg
Flash Point: 37.3 °C
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Specification

The 1H-Indene, octahydro-,(3αR,7αS)-rel-, with the CAS registry number 4551-51-3, is also known as Indan, hexahydro-, cis-. This chemical's molecular formula is C9H16 and molecular weight is 124.22334. Its systematic name is called (3αR,7αS)-octahydro-1H-indene. The product should be sealed and stored in dry and well-ventilated place.

Physical properties of 1H-Indene, octahydro-,(3αR,7αS)-rel-: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1229.62; (6)ACD/BCF (pH 7.4): 1229.62; (7)ACD/KOC (pH 5.5): 5665.74; (8)ACD/KOC (pH 7.4): 5665.74; (9)Index of Refraction: 1.474; (10)Molar Refractivity: 39.55 cm3; (11)Molar Volume: 140.6 cm3; (12)Surface Tension: 29.9 dyne/cm; (13)Density: 0.882 g/cm3; (14)Flash Point: 37.3 °C; (15)Enthalpy of Vaporization: 38.12 kJ/mol; (16)Boiling Point: 161 °C at 760 mmHg; (17)Vapour Pressure: 3.02 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1CC[C@H]2CCCC[C@@H]12
(2)InChI: InChI=1/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9+
(3)InChIKey: BNRNAKTVFSZAFA-DTORHVGOBI