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3-[ (Oxolan-3-yl) methyl]morpholine

CAT: 0926-MKD62993-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-MKD62993-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2137629-93-5
MDL Number
MFCD31448756
Smiles
C1COCC1CC2COCCN2
Molecular Formula
C9H17NO2
Molecular Weight
171.24 g/mol
Controlled
No

Chemical Information

3-((Oxolan-3-yl)methyl)morpholine
CAS Number2137629-93-5
PubChem CID132343841
IUPAC Name3-(oxolan-3-ylmethyl)morpholine
Molecular FormulaC9H17NO2
Molecular Weight171.24
XLogP0.1
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
C1COCC1CC2COCCN2
InChI
InChI=1S/C9H17NO2/c1-3-11-6-8(1)5-9-7-12-4-2-10-9/h8-10H,1-7H2
InChIKey
YQPVVNOZTVENQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((Oxolan-3-yl)methyl)morpholine
CAS: 2137629-93-5
CID: 132343841
Formula: C9H17NO2
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.24
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass171.125928785
Monoisotopic Mass171.125928785
Topological Polar Surface Area30.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes