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8-[[(2R,6R)-2,,6-dimethylmorpholin-4-yl]methyl]-4-hydroxy-3-phenylchr

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摘 要: 8-[[(2R,6R)-2,,6-dimethylmorpholin-4-yl]methyl]-4-hydroxy-3-phenylchromen-7-one,Canonical SMILES: CC1CN(CC(O1)C)CC2=C3C(=C(C(=CO3)C4=CC=CC=C4)O)C=CC2=O,Isomeric SMILES: C[C@@H]1CN(C[C@H](O1)C)CC2=C3C(=C(C(=CO3)C4=CC=CC=C4)O)C=CC2=O,InChI: InChI=1/C2
[Synonyms]

[Structure]
 8-[[(2R,6R)-2,,6-dimethylmorpholin-4-yl]methyl]-4-hydroxy-3-phenylchr

[ Properties Computed from Structure]
Molecular Weight365.42232 [g/mol]
Molecular FormulaC22H23NO4
XLogP2.7
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count3
Tautomer Count5
Exact Mass365.162708
MonoIsotopic Mass365.162708
Topological Polar Surface Area59
Heavy Atom Count27
Formal Charge0
Complexity729
Isotope Atom Count0
Defined Atom StereoCenter Count2
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 8-[[(2R,6R)-2,
6-dimethylmorpholin-4-yl]methyl]-4-hydroxy-3-phenylchromen-7-one
Canonical SMILES: CC1CN(CC(O1)C)CC2=C3C(=C(C(=CO3)C4=CC=CC=C4)O)C=CC2=O
Isomeric SMILES: C[C@@H]1CN(C[C@H](O1)C)CC2=C3C(=C(C(=CO3)C4=CC=CC=C4)O)C=CC2=O
InChI: InChI=1/C22H23NO4/c1-14-10-23(11-15(2)27-14)12-18-20(24)9-8-17-21(25)19
(13-26-22(17)18)16-6-4-3-5-7-16/h3-9,13-15,25H,10-12H2,1-2H3

 
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