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Home > Other Heterocycles > 98442-42-3
98442-42-3 | BICYCLO[3.3.1]NONANE-2,4-DIONE
CAS No: 98442-42-3 Catalog No: AG01EK3D MDL No:MFCD24691575
Product Description
Catalog Number:
AG01EK3D
Chemical Name:
BICYCLO[3.3.1]NONANE-2,4-DIONE
CAS Number:
98442-42-3
Molecular Formula:
C9H12O2
Molecular Weight:
152.1904
MDL Number:
MFCD24691575
IUPAC Name:
bicyclo[3.3.1]nonane-2,4-dione
InChI:
InChI=1S/C9H12O2/c10-8-5-9(11)7-3-1-2-6(8)4-7/h6-7H,1-5H2
InChI Key:
LYEZRBRNKZKXLM-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)C2CC1CCC2
Properties
Complexity:
188
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:
1.1
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