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Spiro[2.3]hexan-4-one

CAT: 0127-OR948321-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR948321-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20571-15-7
MDL Number
MFCD00604224
Purity
98%
Smiles
O=C1CCC12CC2

Chemical Information

Spiro(2.3)hexan-4-one
CAS Number20571-15-7
PubChem CID10877057
IUPAC Namespiro[2.3]hexan-6-one
Molecular FormulaC6H8O
Molecular Weight96.13
XLogP0.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity122
SMILES
C1CC2(C1=O)CC2
InChI
InChI=1S/C6H8O/c7-5-1-2-6(5)3-4-6/h1-4H2
InChIKey
OIRNAOWGCPSZCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro(2.3)hexan-4-one
CAS: 20571-15-7
CID: 10877057
Formula: C6H8O
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.057514874
Monoisotopic Mass96.057514874
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity122
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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VAA57115-01Spiro[2.3]hexan-4-one
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