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(S) -3-Methylmorpholine-2,5-dione

CAT: 0127-OR1069117-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1069117-01Size:50 mg
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CAS Number
127094-71-7
MDL Number
MFCD18829772
Purity
97%
Smiles
O=C(OC1)[C@H](C)NC1=O

Chemical Information

(S)-3-methylmorpholine-2,5-dione
CAS Number127094-71-7
PubChem CID45086562
IUPAC Name(3S)-3-methylmorpholine-2,5-dione
Molecular FormulaC5H7NO3
Molecular Weight129.11
XLogP-0.3
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity154
SMILES
C[C@H]1C(=O)OCC(=O)N1
InChI
InChI=1S/C5H7NO3/c1-3-5(8)9-2-4(7)6-3/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
KNMQEWSKCAMAIM-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of (S)-3-methylmorpholine-2,5-dione
CAS: 127094-71-7
CID: 45086562
Formula: C5H7NO3
MW: 129.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.11
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass129.042593085
Monoisotopic Mass129.042593085
Topological Polar Surface Area55.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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