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Methyl 3- (Morpholin-4-ylmethyl) benzoate

CAT: 0127-OR1003367-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1003367-01Size:250 mg
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CAS Number
190660-95-8
MDL Number
MFCD07772832
Purity
95%
Smiles
COC(=O)c1cccc(CN2CCOCC2)c1

Chemical Information

Methyl 3-(morpholin-4-ylmethyl)benzoate
CAS Number190660-95-8
PubChem CID437850
IUPAC Namemethyl 3-(morpholin-4-ylmethyl)benzoate
Molecular FormulaC13H17NO3
Molecular Weight235.28
XLogP0.4
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity251
SMILES
COC(=O)C1=CC=CC(=C1)CN2CCOCC2
InChI
InChI=1S/C13H17NO3/c1-16-13(15)12-4-2-3-11(9-12)10-14-5-7-17-8-6-14/h2-4,9H,5-8,10H2,1H3
InChIKey
YLFWRCNFZKUNOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(morpholin-4-ylmethyl)benzoate
CAS: 190660-95-8
CID: 437850
Formula: C13H17NO3
MW: 235.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.28
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass235.12084340
Monoisotopic Mass235.12084340
Topological Polar Surface Area38.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity251
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

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