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5- (Hydroxymethyl) piperidin-2-one

CAT: 0127-OR1033018-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1033018-01Size:100 mg
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CAS Number
146059-77-0
Purity
98%
Smiles
O=C1NCC(CO)CC1

Chemical Information

5-(Hydroxymethyl)piperidin-2-one
CAS Number146059-77-0
PubChem CID15386079
IUPAC Name5-(hydroxymethyl)piperidin-2-one
Molecular FormulaC6H11NO2
Molecular Weight129.16
XLogP-0.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1CC(=O)NCC1CO
InChI
InChI=1S/C6H11NO2/c8-4-5-1-2-6(9)7-3-5/h5,8H,1-4H2,(H,7,9)
InChIKey
ASQVPLMNHXQYMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Hydroxymethyl)piperidin-2-one
CAS: 146059-77-0
CID: 15386079
Formula: C6H11NO2
MW: 129.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.16
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass129.078978594
Monoisotopic Mass129.078978594
Topological Polar Surface Area49.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
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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