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Home > Other Heterocycles > 141041-89-6
141041-89-6 | 3-Oxabicyclo[3.1.0]hexan-2-one, 6-phenyl-, (1S,5R,6S)-
CAS No: 141041-89-6 Catalog No: AG001FSJ MDL No:
Product Description
Catalog Number:
AG001FSJ
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, 6-phenyl-, (1S,5R,6S)-
CAS Number:
141041-89-6
Molecular Formula:
C11H10O2
Molecular Weight:
174.1959
IUPAC Name:
(1S,5R,6S)-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C11H10O2/c12-11-10-8(6-13-11)9(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9+,10-/m1/s1
InChI Key:
MRTXJRBEIJEIRA-KXUCPTDWSA-N
SMILES:
O=C1OC[C@H]2[C@@H]1[C@H]2c1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
1.6
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