8-Oxabicyclo[5.1.0]octane


Chemical Name: 8-Oxabicyclo[5.1.0]octane
CAS Number: 286-45-3
Product Number: AG002VTR(AGN-PC-05JE7J)
Synonyms:
MDL No:
Molecular Formula: C7H12O
Molecular Weight: 112.1696

Identification/Properties


Computed Properties
Molecular Weight:
112.172g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
112.089g/mol
Monoisotopic Mass:
112.089g/mol
Topological Polar Surface Area:
12.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
80.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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