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Home > Other Heterocycles > 58564-88-8
58564-88-8 | 7-oxabicyclo[2.2.1]heptan-2-one
CAS No: 58564-88-8 Catalog No: AG01C1AV MDL No:MFCD24688157
Product Description
Catalog Number:
AG01C1AV
Chemical Name:
7-oxabicyclo[2.2.1]heptan-2-one
CAS Number:
58564-88-8
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD24688157
IUPAC Name:
7-oxabicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C6H8O2/c7-5-3-4-1-2-6(5)8-4/h4,6H,1-3H2
InChI Key:
WXPQJUYTXIJMPB-UHFFFAOYSA-N
SMILES:
O=C1CC2OC1CC2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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