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2- (5-Methylfuran-2-yl) morpholine

CAT: 0127-OR1036090-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1036090-01Size:100 mg
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CAS Number
1094752-65-4
Purity
98%
Smiles
CC1=CC=C(C2OCCNC2)O1

Chemical Information

2-(5-Methylfuran-2-yl)morpholine
CAS Number1094752-65-4
PubChem CID43169332
IUPAC Name2-(5-methylfuran-2-yl)morpholine
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP0.5
Topological Polar Surface Area34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CC1=CC=C(O1)C2CNCCO2
InChI
InChI=1S/C9H13NO2/c1-7-2-3-8(12-7)9-6-10-4-5-11-9/h2-3,9-10H,4-6H2,1H3
InChIKey
BHWYSQNTGGMCED-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Methylfuran-2-yl)morpholine
CAS: 1094752-65-4
CID: 43169332
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area34.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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