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Spiro[3.4]octan-1-one

CAT: 0926-MBA60931-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-MBA60931-01Size:0.1 g
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CAS Number
37609-31-7
MDL Number
MFCD18910992
Smiles
C1CCC2 (C1) CCC2=O
Molecular Formula
C8H12O
Molecular Weight
124.18 g/mol
Controlled
No

Chemical Information

Spiro[3.4]octan-1-one
CAS Number37609-31-7
PubChem CID12542142
IUPAC Namespiro[3.4]octan-3-one
Molecular FormulaC8H12O
Molecular Weight124.18
XLogP1.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity143
SMILES
C1CCC2(C1)CCC2=O
InChI
InChI=1S/C8H12O/c9-7-3-6-8(7)4-1-2-5-8/h1-6H2
InChIKey
SCXSEYWVNBAKBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiro[3.4]octan-1-one
CAS: 37609-31-7
CID: 12542142
Formula: C8H12O
MW: 124.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight124.18
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass124.088815002
Monoisotopic Mass124.088815002
Topological Polar Surface Area17.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity143
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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