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Home Other Building Blocks CYCLOPENTANONE ETHYLENE KETAL

CYCLOPENTANONE ETHYLENE KETAL

CAS No.:
176-32-9
Catalog Number:
AG0021CG
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
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Product Description
Catalog Number:
AG0021CG
Chemical Name:
CYCLOPENTANONE ETHYLENE KETAL
CAS Number:
176-32-9
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00075470
IUPAC Name:
1,4-dioxaspiro[4.4]nonane
InChI:
InChI=1S/C7H12O2/c1-2-4-7(3-1)8-5-6-9-7/h1-6H2
InChI Key:
IJDXSTIWUARVEK-UHFFFAOYSA-N
SMILES:
C1CCC2(C1)OCCO2
Properties
Complexity:
97.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Kinetics and mechanisms of the thermal decomposition of 2-methyl-1,3-dioxolane, 2,2-dimethyl-1,3-dioxolane, and cyclopentanone ethylene ketal in the gas phase. Combined experimental and DFT study. The journal of physical chemistry. A 20120920
Urinary excretion of the 1,4-dihydropyridine calcium antagonist VULM 993 and its metabolites in the rat. European journal of drug metabolism and pharmacokinetics 20010101
Properties