3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1S,5R)-


Chemical Name: 3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1S,5R)-
CAS Number: 96847-53-9
Product Number: AG00IJV8(AGN-PC-0OOHO9)
Synonyms:
MDL No:
Molecular Formula: C11H10O2
Molecular Weight: 174.1959

Identification/Properties


Computed Properties
Molecular Weight:
174.199g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
174.068g/mol
Monoisotopic Mass:
174.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
243
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
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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