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4-Methylmorpholin-2-one

CAT: 0127-OR94111-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR94111-02Size:5 g
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CAS Number
18424-96-9
MDL Number
MFCD16659615
Purity
96%
Smiles
CN1CCOC(=O)C1

Chemical Information

N-methyl-2-morpholinone
CAS Number18424-96-9
PubChem CID519559
IUPAC Name4-methylmorpholin-2-one
Molecular FormulaC5H9NO2
Molecular Weight115.13
XLogP0
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity103
SMILES
CN1CCOC(=O)C1
InChI
InChI=1S/C5H9NO2/c1-6-2-3-8-5(7)4-6/h2-4H2,1H3
InChIKey
NMAIBUJJZUMSPH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-2-morpholinone
CAS: 18424-96-9
CID: 519559
Formula: C5H9NO2
MW: 115.13
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight115.13
XLogP30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass115.063328530
Monoisotopic Mass115.063328530
Topological Polar Surface Area29.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes