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3-Methoxycyclopentan-1-one

CAT: 0127-OR1077049-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1077049-01Size:100 mg
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CAS Number
108811-43-4
MDL Number
MFCD22491241
Purity
95+%
Smiles
O=C1CC (OC) CC1

Chemical Information

3-Methoxycyclopentanone
CAS Number108811-43-4
PubChem CID54292409
IUPAC Name3-methoxycyclopentan-1-one
Molecular FormulaC6H10O2
Molecular Weight114.14
XLogP0
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity98
SMILES
COC1CCC(=O)C1
InChI
InChI=1S/C6H10O2/c1-8-6-3-2-5(7)4-6/h6H,2-4H2,1H3
InChIKey
GFEOMMUMMYWXQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxycyclopentanone
CAS: 108811-43-4
CID: 54292409
Formula: C6H10O2
MW: 114.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.14
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity98.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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