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Home > Other Heterocycles > 82683-51-0
82683-51-0 | Spiro[4.5]decane-7,9-dione
CAS No: 82683-51-0 Catalog No: AG0051Y9 MDL No:MFCD03844397
Product Description
Catalog Number:
AG0051Y9
Chemical Name:
Spiro[4.5]decane-7,9-dione
CAS Number:
82683-51-0
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD03844397
IUPAC Name:
spiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C10H14O2/c11-8-5-9(12)7-10(6-8)3-1-2-4-10/h1-7H2
InChI Key:
OSKDRFHEYJSVBB-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC2(C1)CCCC2
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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