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Home > Other Heterocycles > 101567-96-8
101567-96-8 | 3-Oxabicyclo[3.3.1]nonan-9-one
CAS No: 101567-96-8 Catalog No: AG0004TU MDL No:
Product Description
Catalog Number:
AG0004TU
Chemical Name:
3-Oxabicyclo[3.3.1]nonan-9-one
CAS Number:
101567-96-8
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
IUPAC Name:
3-oxabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C8H12O2/c9-8-6-2-1-3-7(8)5-10-4-6/h6-7H,1-5H2
InChI Key:
PTRBJBWZKVMVSS-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1COC2
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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