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2- (Morpholin-3-yl) -1-phenylethan-1-ol

CAT: 0926-UFC04211-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-UFC04211-01Size:50 mg
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CAS Number
1394042-11-5
MDL Number
MFCD22378643
Smiles
C1COCC (N1) CC (C2=CC=CC=C2) O
Molecular Formula
C12H17NO2
Molecular Weight
207.27 g/mol
Controlled
No

Chemical Information

3-Morpholineethanol, alpha-phenyl-
CAS Number1394042-11-5
PubChem CID71756244
IUPAC Name2-morpholin-3-yl-1-phenylethanol
Molecular FormulaC12H17NO2
Molecular Weight207.27
XLogP0.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity180
SMILES
C1COCC(N1)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C12H17NO2/c14-12(10-4-2-1-3-5-10)8-11-9-15-7-6-13-11/h1-5,11-14H,6-9H2
InChIKey
OTPGHSWEBWKQDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Morpholineethanol, alpha-phenyl-
CAS: 1394042-11-5
CID: 71756244
Formula: C12H17NO2
MW: 207.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight207.27
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.125928785
Monoisotopic Mass207.125928785
Topological Polar Surface Area41.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity180
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