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5-Oxo Viloxazine

CAT: 0572-TRC-O867200-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O867200-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56305-61-4
Synonyms
6-[(2-Ethoxyphenoxy)methyl]-3-morpholinone; ICI 69322
Hazard Statement
No Data Available
Smiles
CCOC1=CC=CC=C1OCC2CNC(=O)CO2
Molecular Formula
C13 H17 N O4
Molecular Weight
251.27838
InChI
InChI=1S/C13H17NO4/c1-2-16-11-5-3-4-6-12(11)18-8-10-7-14-13(15)9-17-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)
Additionnal Information
IUPAC name: 6-[(2-ethoxyphenoxy)methyl]morpholin-3-one

Chemical Information

6-((2-Ethoxyphenoxy)methyl)morpholin-3-one
CAS Number56305-61-4
PubChem CID68215123
IUPAC Name6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
Molecular FormulaC13H17NO4
Molecular Weight251.28
XLogP1.3
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity272
SMILES
CCOC1=CC=CC=C1OCC2CNC(=O)CO2
InChI
InChI=1S/C13H17NO4/c1-2-16-11-5-3-4-6-12(11)18-8-10-7-14-13(15)9-17-10/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKey
SLTGTEZJMITYRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-((2-Ethoxyphenoxy)methyl)morpholin-3-one
CAS: 56305-61-4
CID: 68215123
Formula: C13H17NO4
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass251.11575802
Monoisotopic Mass251.11575802
Topological Polar Surface Area56.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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