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Home > Other Heterocycles > 1820574-46-6
1820574-46-6 | rac-(1S,5S)-2-oxabicyclo[3.2.0]heptan-7-one
CAS No: 1820574-46-6 Catalog No: AG00J2TC MDL No:MFCD27966368
Product Description
Catalog Number:
AG00J2TC
Chemical Name:
rac-(1S,5S)-2-oxabicyclo[3.2.0]heptan-7-one
CAS Number:
1820574-46-6
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD27966368
IUPAC Name:
(1S,5S)-2-oxabicyclo[3.2.0]heptan-7-one
InChI:
InChI=1S/C6H8O2/c7-5-3-4-1-2-8-6(4)5/h4,6H,1-3H2/t4-,6-/m0/s1
InChI Key:
XKRBHKQNGYBGBD-NJGYIYPDSA-N
SMILES:
O=C1C[C@H]2[C@@H]1OCC2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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