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Home > Other Heterocycles > 75658-86-5
75658-86-5 | 3-Oxabicyclo[3.1.0]hexan-2-one, (1S,5R)-
CAS No: 75658-86-5 Catalog No: AG005VR8 MDL No:
Product Description
Catalog Number:
AG005VR8
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, (1S,5R)-
CAS Number:
75658-86-5
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
IUPAC Name:
(1S,5R)-3-oxabicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C5H6O2/c6-5-4-1-3(4)2-7-5/h3-4H,1-2H2/t3-,4-/m0/s1
InChI Key:
PNEPXIIVGHYESL-IMJSIDKUSA-N
SMILES:
O=C1OC[C@H]2[C@@H]1C2
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
98.037g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
98.101g/mol
Monoisotopic Mass:
98.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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