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Home > Other Heterocycles > 81701-34-0
81701-34-0 | Spiro[4.5]decane-6,10-dione, 8,8-dimethyl-
CAS No: 81701-34-0 Catalog No: AG0051BX MDL No:
Product Description
Catalog Number:
AG0051BX
Chemical Name:
Spiro[4.5]decane-6,10-dione, 8,8-dimethyl-
CAS Number:
81701-34-0
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
8,8-dimethylspiro[4.5]decane-6,10-dione
InChI:
InChI=1S/C12H18O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-8H2,1-2H3
InChI Key:
ICCYXYPXLALDMK-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C21CCCC2
Properties
Complexity:
261
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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