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(S) -5- (Hydroxymethyl) morpholin-3-one

CAT: 0127-OR87807-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR87807-01Size:100 mg
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CAS Number
1389384-57-9
MDL Number
MFCD22536407
Purity
95%
Smiles
O=C1N[C@@H](CO)COC1

Chemical Information

(5S)-5-(Hydroxymethyl)morpholine-3-one
CAS Number1389384-57-9
PubChem CID86335551
IUPAC Name(5S)-5-(hydroxymethyl)morpholin-3-one
Molecular FormulaC5H9NO3
Molecular Weight131.13
XLogP-1.4
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity115
SMILES
C1[C@@H](NC(=O)CO1)CO
InChI
InChI=1S/C5H9NO3/c7-1-4-2-9-3-5(8)6-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
InChIKey
FOJNXDWRHDVNIW-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of (5S)-5-(Hydroxymethyl)morpholine-3-one
CAS: 1389384-57-9
CID: 86335551
Formula: C5H9NO3
MW: 131.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.13
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass131.058243149
Monoisotopic Mass131.058243149
Topological Polar Surface Area58.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity115
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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