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89789-46-8 | 3a,8a-Propano-4H-cyclohepta[b]furan-2(3H)-one, tetrahydro-
CAS No: 89789-46-8 Catalog No: AG003ZOM MDL No:
Product Description
Catalog Number:
AG003ZOM
Chemical Name:
3a,8a-Propano-4H-cyclohepta[b]furan-2(3H)-one, tetrahydro-
CAS Number:
89789-46-8
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
8-oxatricyclo[5.3.3.01,7]tridecan-9-one
InChI:
InChI=1S/C12H18O2/c13-10-9-11-5-2-1-3-7-12(11,14-10)8-4-6-11/h1-9H2
InChI Key:
NBAVKZVAMXNSRF-UHFFFAOYSA-N
SMILES:
O=C1CC23C(O1)(CCC3)CCCCC2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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