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Home > Other Heterocycles > 119065-07-5
119065-07-5 | Bicyclo[2.2.1]heptan-2-one, 3-benzoyl-1,7,7-trimethyl-, (1R,3S,4R)-
CAS No: 119065-07-5 Catalog No: AG000I4H MDL No:
Product Description
Catalog Number:
AG000I4H
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 3-benzoyl-1,7,7-trimethyl-, (1R,3S,4R)-
CAS Number:
119065-07-5
Molecular Formula:
C17H20O2
Molecular Weight:
256.3395
IUPAC Name:
3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C17H20O2/c1-16(2)12-9-10-17(16,3)15(19)13(12)14(18)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChI Key:
IVDVAMTYPIOUEQ-UHFFFAOYSA-N
SMILES:
O=C([C@H]1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.146g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.345g/mol
Monoisotopic Mass:
256.146g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| (3-Benzoyl-1,7,7-trimethyl-bicyclo-[2.2.1]heptan-2-olato-κO,O)bis-[2-(2-pyrid-yl)phenyl-κC,N]iridium(III). | Acta crystallographica. Section E, Structure reports online 20111101 |
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