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Home > Other Heterocycles > 5164-64-7
5164-64-7 | Bicyclo[2.1.1]hexan-2-one
CAS No: 5164-64-7 Catalog No: AG006UFH MDL No:
Product Description
Catalog Number:
AG006UFH
Chemical Name:
Bicyclo[2.1.1]hexan-2-one
CAS Number:
5164-64-7
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
IUPAC Name:
bicyclo[2.1.1]hexan-2-one
InChI:
InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h4-5H,1-3H2
InChI Key:
PWKFOXYVSDYYCK-UHFFFAOYSA-N
SMILES:
O=C1CC2CC1C2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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