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3-Methyl-4-piperidone

CAT: 0127-OR913284-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR913284-01Size:250 mg
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CAS Number
5773-58-0
MDL Number
MFCD07787596
Purity
97%
Smiles
CC1CNCCC1=O

Chemical Information

3-Methylpiperidin-4-one
CAS Number5773-58-0
PubChem CID12284277
IUPAC Name3-methylpiperidin-4-one
Molecular FormulaC6H11NO
Molecular Weight113.16
XLogP-0.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity101
SMILES
CC1CNCCC1=O
InChI
InChI=1S/C6H11NO/c1-5-4-7-3-2-6(5)8/h5,7H,2-4H2,1H3
InChIKey
KTWRIXHINMYODR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylpiperidin-4-one
CAS: 5773-58-0
CID: 12284277
Formula: C6H11NO
MW: 113.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.16
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.084063974
Monoisotopic Mass113.084063974
Topological Polar Surface Area29.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity101
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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abx1883943-Methyl-4-Piperidone
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