8-Oxaspiro[4.5]decane-7,9-dione
Product Information
Molecular Formula
C9H12O3
Molecular Weight
168.1910
Description
8-Oxaspiro[4.5]decane-7,9-dione is an indispensable substance within the biomedical sector. Its remarkable attributes empower it to combat malignant ailments, including cancer and inflammation, fostering hope within the realms of medical intervention.
Synonyms
8-Oxaspiro[4.5]decane-7,9-dione
IUPAC Name
8-oxaspiro[4.5]decane-7,9-dione
SMILES
C1CCC2(C1)CC(=O)OC(=O)C2
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
Boiling Point
186 °C/15 mmHg (lit.)
Melting Point
64-66 °C (lit.)
Flash Point
Not applicable
Purity
0.98
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
1.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
168.078644241 g/mol
Monoisotopic Mass
168.078644241 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
208
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
