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Home > Other Heterocycles > 121851-50-1
121851-50-1 | 3-Oxabicyclo[3.1.0]hexan-2-one, 5-phenyl-
CAS No: 121851-50-1 Catalog No: AG001655 MDL No:
Product Description
Catalog Number:
AG001655
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 5-phenyl-
CAS Number:
121851-50-1
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
5-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C11H10O2/c12-10-9-6-11(9,7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
GCZFCAPAERNAAO-UHFFFAOYSA-N
SMILES:
O=C1OCC2(C1C2)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.199g/mol
Monoisotopic Mass:
174.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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