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Home > Other Heterocycles > 75658-85-4
75658-85-4 | 3-Oxabicyclo[3.2.0]heptan-2-one, (1S)-
CAS No: 75658-85-4 Catalog No: AG005IY6 MDL No:
Product Description
Catalog Number:
AG005IY6
Chemical Name:
3-Oxabicyclo[3.2.0]heptan-2-one, (1S)-
CAS Number:
75658-85-4
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
(1S)-3-oxabicyclo[3.2.0]heptan-2-one
InChI:
InChI=1S/C6H8O2/c7-6-5-2-1-4(5)3-8-6/h4-5H,1-3H2/t4?,5-/m0/s1
InChI Key:
UJFCQYSTPCFCII-AKGZTFGVSA-N
SMILES:
O=C1OCC2[C@@H]1CC2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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