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(2R)-1-(phenylmethylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol,Canoni

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摘 要: (2R)-1-(phenylmethylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol,Canonical SMILES: C=CCC1=CC=CC=C1OCC(CNCC2=CC=CC=C2)O,Isomeric SMILES: C=CCC1=CC=CC=C1OC[C@@H](CNCC2=CC=CC=C2)O,InChI: InChI=1/C19H23NO2/c1-2-8-17-11-6-7-12-19(17)22-15-18(21)14-20-13-16
[Synonyms]

[Structure]
 (2R)-1-(phenylmethylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol,Canoni

[ Properties Computed from Structure]
Molecular Weight297.39142 [g/mol]
Molecular FormulaC19H23NO2
XLogP3.7
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count9
Exact Mass297.172879
MonoIsotopic Mass297.172879
Topological Polar Surface Area41.5
Heavy Atom Count22
Formal Charge0
Complexity302
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: (2R)-1-(phenylmethylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
Canonical SMILES: C=CCC1=CC=CC=C1OCC(CNCC2=CC=CC=C2)O
Isomeric SMILES: C=CCC1=CC=CC=C1OC[C@@H](CNCC2=CC=CC=C2)O
InChI: InChI=1/C19H23NO2/c1-2-8-17-11-6-7-12-19(17)22-15-18(21)14-20-13-16-9-4-
3-5-10-16/h2-7,9-12,18,20-21H,1,8,13-15H2/t18-/m1/s1

 
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