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Home > Other Heterocycles > 199668-91-2
199668-91-2 | Bicyclo[3.3.1]nonane-2,7-dione
CAS No: 199668-91-2 Catalog No: AG002C9S MDL No:
Product Description
Catalog Number:
AG002C9S
Chemical Name:
Bicyclo[3.3.1]nonane-2,7-dione
CAS Number:
199668-91-2
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
IUPAC Name:
bicyclo[3.3.1]nonane-2,7-dione
InChI:
InChI=1S/C9H12O2/c10-8-4-6-1-2-9(11)7(3-6)5-8/h6-7H,1-5H2
InChI Key:
GZPVOPZRVWTQGG-UHFFFAOYSA-N
SMILES:
O=C1CC2CCC(=O)C(C1)C2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.193g/mol
Monoisotopic Mass:
152.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Determination of the absolute configuration of bicyclo[3.3.1]nonane-2,7-dione by circular dichroism spectroscopy and chemical correlation. | Chirality 20010101 |
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