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Home > Other Heterocycles > 89395-28-8
89395-28-8 | 3-Oxabicyclo[3.1.0]hexan-2-one, (1R,5S)-
CAS No: 89395-28-8 Catalog No: AG003WCE MDL No:MFCD18384736
Product Description
Catalog Number:
AG003WCE
Chemical Name:
3-Oxabicyclo[3.1.0]hexan-2-one, (1R,5S)-
CAS Number:
89395-28-8
Molecular Formula:
C5H6O2
Molecular Weight:
98.0999
MDL Number:
MFCD18384736
IUPAC Name:
(1R,5S)-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-/m1/s1
InChI Key:
PNEPXIIVGHYESL-QWWZWVQMSA-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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