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Home > Other Heterocycles > 188886-99-9
188886-99-9 | Bicyclo[3.2.1]oct-3-en-2-one, 3-benzoyl-
CAS No: 188886-99-9 Catalog No: AG002HFZ MDL No:
Product Description
Catalog Number:
AG002HFZ
Chemical Name:
Bicyclo[3.2.1]oct-3-en-2-one, 3-benzoyl-
CAS Number:
188886-99-9
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
3-benzoylbicyclo[3.2.1]oct-3-en-2-one
InChI:
InChI=1S/C15H14O2/c16-14(11-4-2-1-3-5-11)13-9-10-6-7-12(8-10)15(13)17/h1-5,9-10,12H,6-8H2
InChI Key:
VYRTWXDNLQIMRC-UHFFFAOYSA-N
SMILES:
O=C(C1=CC2CCC(C1=O)C2)c1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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