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2-Hydroxy-2- (oxan-4-yl) acetamide

CAT: 0926-YZB21644-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YZB21644-01Size:50 mg
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CAS Number
1248216-44-5
MDL Number
MFCD16746200
Smiles
C1COCCC1C (C (=O) N) O
Molecular Formula
C7H13NO3
Molecular Weight
159.18 g/mol
Controlled
No

Chemical Information

2-Hydroxy-2-(oxan-4-yl)acetamide
CAS Number1248216-44-5
PubChem CID62390559
IUPAC Name2-hydroxy-2-(oxan-4-yl)acetamide
Molecular FormulaC7H13NO3
Molecular Weight159.18
XLogP-0.9
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity143
SMILES
C1COCCC1C(C(=O)N)O
InChI
InChI=1S/C7H13NO3/c8-7(10)6(9)5-1-3-11-4-2-5/h5-6,9H,1-4H2,(H2,8,10)
InChIKey
KOEHHYFUIVEIQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-2-(oxan-4-yl)acetamide
CAS: 1248216-44-5
CID: 62390559
Formula: C7H13NO3
MW: 159.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight159.18
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass159.08954328
Monoisotopic Mass159.08954328
Topological Polar Surface Area72.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity143
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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