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Home > Other Heterocycles > 111292-40-1
111292-40-1 | 2-OXABICYCLO[2.2.1]HEPTAN-5-ONE
CAS No: 111292-40-1 Catalog No: AG01DKKW MDL No:
Product Description
Catalog Number:
AG01DKKW
Chemical Name:
2-OXABICYCLO[2.2.1]HEPTAN-5-ONE
CAS Number:
111292-40-1
IUPAC Name:
2-oxabicyclo[2.2.1]heptan-5-one
InChI:
InChI=1S/C6H8O2/c7-6-2-5-1-4(6)3-8-5/h4-5H,1-3H2
InChI Key:
MHQWNOCGIPVYED-UHFFFAOYSA-N
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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