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Home > Other Heterocycles > 96847-53-9
96847-53-9 | 3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1S,5R)-
CAS No: 96847-53-9 Catalog No: AG00IJV8 MDL No:MFCD09833671
Product Description
Catalog Number:
AG00IJV8
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 1-phenyl-, (1S,5R)-
CAS Number:
96847-53-9
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
MDL Number:
MFCD09833671
IUPAC Name:
(1S,5R)-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-,11+/m0/s1
InChI Key:
WZGFIZUMKYUMRN-GXSJLCMTSA-N
SMILES:
O=C1OC[C@H]2[C@@]1(C2)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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