Molecule structure of Spirooxiranecyclohexane (CAS NO.185-70-6) :
IUPAC Name: 1-oxaspiro[2.5]octane
Molecular Weight: 112.16958 g/mol
Molecular Formula: C7H12O
Density: 0.98 g/cm3
Boiling Point: 140.7 °C at 760 mmHg
Flash Point: 26.5 °C
Index of Refraction: 1.478
Molar Refractivity: 32.11 cm3
Molar Volume: 113.4 cm3
Polarizability: 12.73×10-24 cm3
Surface Tension: 31.1 dyne/cm
Enthalpy of Vaporization: 36.23 kJ/mol
Vapour Pressure: 7.56 mmHg at 25 °C
H-Bond Acceptor: 1
Exact Mass: 112.088815
MonoIsotopic Mass: 112.088815
Topological Polar Surface Area: 12.5
Heavy Atom Count: 8
Complexity: 92.6
Canonical SMILES: C1CCC2(CC1)CO2
InChI: InChI=1S/C7H12O/c1-2-4-7(5-3-1)6-8-7/h1-6H2
InChIKey of Spirooxiranecyclohexane (CAS NO.185-70-6) : VUEWYZJJYGPJDC-UHFFFAOYSA-N
1. | mic-sat 2500 nmol/plate | MUREAV Mutation Research. 224 (1989),171. |
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
RIDADR: 1993
HazardClass: 3.2
PackingGroup: III
Spirooxiranecyclohexane (CAS NO.185-70-6) is also called 1-Oxaspiro(2.5)octane ; 5-17-01-00217 (Beilstein Handbook Reference) ; BRN 0103121 ; CCRIS 3535 ; Methylenecyclohexane oxide ; NSC 52756 ; Oxaspirooctane ; 1-Oxaspiro(2.5)octane ; Cyclohexylidene oxide .
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