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2,8-Dioxaspiro[4.5]decan-1-one

CAT: 0926-QSC33828-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-QSC33828-01Size:50 mg
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CAS Number
1690338-28-3
MDL Number
MFCD26936287
Smiles
C1COCCC12CCOC2=O
Molecular Formula
C8H12O3
Molecular Weight
156.18 g/mol
Controlled
No

Chemical Information

2,8-Dioxaspiro[4.5]decan-1-one
CAS Number1690338-28-3
PubChem CID75458718
IUPAC Name2,8-dioxaspiro[4.5]decan-1-one
Molecular FormulaC8H12O3
Molecular Weight156.18
XLogP0.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity170
SMILES
C1COCCC12CCOC2=O
InChI
InChI=1S/C8H12O3/c9-7-8(3-6-11-7)1-4-10-5-2-8/h1-6H2
InChIKey
APIPWCNIYUXQKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,8-Dioxaspiro[4.5]decan-1-one
CAS: 1690338-28-3
CID: 75458718
Formula: C8H12O3
MW: 156.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.18
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass156.078644241
Monoisotopic Mass156.078644241
Topological Polar Surface Area35.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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