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Home > Other Heterocycles > 625099-16-3
625099-16-3 | 3-Oxabicyclo[3.2.1]octan-8-one
CAS No: 625099-16-3 Catalog No: AG00IB19 MDL No:
Product Description
Catalog Number:
AG00IB19
Chemical Name:
3-Oxabicyclo[3.2.1]octan-8-one
CAS Number:
625099-16-3
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
3-oxabicyclo[3.2.1]octan-8-one
InChI:
InChI=1S/C7H10O2/c8-7-5-1-2-6(7)4-9-3-5/h5-6H,1-4H2
InChI Key:
YDTXLGSQUMWYOK-UHFFFAOYSA-N
SMILES:
O=C1C2COCC1CC2
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:
0.1
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