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Home > Other Heterocycles > 5662-95-3
5662-95-3 | 8-Oxaspiro[4.5]decane-7,9-dione
CAS No: 5662-95-3 Catalog No: AG003NIY MDL No:MFCD00006678
Product Description
Catalog Number:
AG003NIY
Chemical Name:
8-Oxaspiro[4.5]decane-7,9-dione
CAS Number:
5662-95-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
MDL Number:
MFCD00006678
IUPAC Name:
8-oxaspiro[4.5]decane-7,9-dione
InChI:
InChI=1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2
InChI Key:
GFWLMILMVMCJDI-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)CC2(C1)CCCC2
EC Number:
227-116-6
NSC Number:
78448
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Calorimetric and computational thermochemical study of 3,3-tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric anhydride, and 3,3-tetramethyleneglutarimide. | The journal of physical chemistry. A 20081009 |
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