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Home > Other Heterocycles > 156968-57-9
156968-57-9 | Spiro[4.5]decane-1,4-dione, 7,7-dimethyl-
CAS No: 156968-57-9 Catalog No: AG001P3S MDL No:
Product Description
Catalog Number:
AG001P3S
Chemical Name:
Spiro[4.5]decane-1,4-dione, 7,7-dimethyl-
CAS Number:
156968-57-9
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
9,9-dimethylspiro[4.5]decane-1,4-dione
InChI:
InChI=1S/C12H18O2/c1-11(2)6-3-7-12(8-11)9(13)4-5-10(12)14/h3-8H2,1-2H3
InChI Key:
WILVGFZBSAMEGN-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C21CCCC(C2)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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