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Home > Other Heterocycles > 77745-32-5
77745-32-5 | 8-Oxabicyclo[3.2.1]octan-3-one
CAS No: 77745-32-5 Catalog No: AG005G1Q MDL No:MFCD23106461
Product Description
Catalog Number:
AG005G1Q
Chemical Name:
8-Oxabicyclo[3.2.1]octan-3-one
CAS Number:
77745-32-5
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
MDL Number:
MFCD23106461
IUPAC Name:
8-oxabicyclo[3.2.1]octan-3-one
InChI:
InChI=1S/C7H10O2/c8-5-3-6-1-2-7(4-5)9-6/h6-7H,1-4H2
InChI Key:
XWUJGUIPMCLRBE-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(C1)O2
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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