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bicyclo[2.1.1]hexan-2-one

bicyclo[2.1.1]hexan-2-one

CAS: 5164-64-7

Formula: C6H8O

SMILES: O=C1CC2CC1C2

IUPAC: bicyclo[2.1.1]hexan-2-one

InChI: InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4-5H,1-3H2

Composition: C (74.97%), H (8.39%), O (16.64%)

Molar Mass: 96.129

Atom Count: 15

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 96.057514878
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PWKFOXYVSDYYCK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 26.37
Topological Polar Surface Area 17.07
Polarizability 10.4
Ring Count 2
Rotatable Bond Count 0

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