CAS 176-32-9 | CYCLOPENTANONE ETHYLENE KETAL | CAS Number 176-32-9

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176-32-9 | CYCLOPENTANONE ETHYLENE KETAL

CAS No: 176-32-9 Catalog No: AG0021CG MDL No:MFCD00075470

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.171g/mol

Monoisotopic Mass:

128.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

18.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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