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4- (Hydroxymethyl) piperidin-2-one

CAT: 0926-DCA61147-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-DCA61147-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53611-47-5
MDL Number
MFCD17016089
Smiles
C1CNC (=O) CC1CO
Molecular Formula
C6H11NO2
Molecular Weight
129.16 g/mol
Controlled
No

Chemical Information

4-(Hydroxymethyl)piperidin-2-one
CAS Number53611-47-5
PubChem CID21840017
IUPAC Name4-(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
C1CNC(=O)CC1CO
InChI
InChI=1S/C6H11NO2/c8-4-5-1-2-7-6(9)3-5/h5,8H,1-4H2,(H,7,9)
InChIKey
DTSWKQMYYTZZMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Hydroxymethyl)piperidin-2-one
CAS: 53611-47-5
CID: 21840017
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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