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Octahydro-Pentalene
[CAS# 694-72-4]

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Identification
Name Octahydro-Pentalene
Synonyms Inchi=1/C8h14/C1-3-7-5-2-6-8(7)4-1/H7-8H,1-6H2/T7-,8; Cis-Bicyclo[3.3.0]Octane; Trans-Bicyclo(3.3.0)Octane
Molecular Structure CAS#: 694-72-4, Octahydro-Pentalene
Molecular Formula C8H14
Molecular Weight 110.20
CAS Registry Number 694-72-4
SMILES C1CCC2C1CCC2
InChI 1S/C8H14/c1-3-7-5-2-6-8(7)4-1/h7-8H,1-6H2
InChIKey AEBWATHAIVJLTA-UHFFFAOYSA-N
Properties
Density 0.896g/cm3 (Cal.)
Boiling point 140.504°C at 760 mmHg (Cal.)
Flash point 19.445°C (Cal.)
References
(1) Xue-Fang Shi, Hai-Bin Song, Lei He and Wen-Qin Zhang. Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host, CrystEngComm, 2009, 11, 542.
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