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Methyl 3-morpholin-4-ylpropanoate

CAT: 0024-sc-353889Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-353889Size:1 g
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CAS Number
33611-43-7

Chemical Information

4-Morpholinepropanoic acid, methyl ester
CAS Number33611-43-7
PubChem CID101373
IUPAC Namemethyl 3-morpholin-4-ylpropanoate
Molecular FormulaC8H15NO3
Molecular Weight173.21
XLogP-0.3
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity143
SMILES
COC(=O)CCN1CCOCC1
InChI
InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3
InChIKey
YMSLLIGKMYXCPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Morpholinepropanoic acid, methyl ester
CAS: 33611-43-7
CID: 101373
Formula: C8H15NO3
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass173.10519334
Monoisotopic Mass173.10519334
Topological Polar Surface Area38.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity143
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