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NSC666127 4-[2-(4-methoxyphenyl)ethyl]morpholine hydrochloride,Canonic

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摘 要:NSC666127 4-[2-(4-methoxyphenyl)ethyl]morpholine hydrochloride,Canonical SMILES: COC1=CC=C(C=C1)CCN2CCOCC2.Cl,InChI: InChI=1/C13H19NO2.ClH/c1-15-13-4-2-12(3-5-13)6-7-14-8-10-16-11-9-14;/h2-,5H,6-11H2,1H3;1H,Molecular Weight257.7564 [g/mol]Molecular F
[Synonyms]
NSC666127
[Structure]
NSC666127 4-[2-(4-methoxyphenyl)ethyl]morpholine hydrochloride,Canonic

[ Properties Computed from Structure]
Molecular Weight257.7564 [g/mol]
Molecular FormulaC13H20ClNO2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Exact Mass257.118257
MonoIsotopic Mass257.118257
Topological Polar Surface Area21.7
Heavy Atom Count17
Formal Charge0
Complexity184
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count2

[ Descriptors Computed from Structure]
IUPAC Name: 4-[2-(4-methoxyphenyl)ethyl]morpholine hydrochloride
Canonical SMILES: COC1=CC=C(C=C1)CCN2CCOCC2.Cl
InChI: InChI=1/C13H19NO2.ClH/c1-15-13-4-2-12(3-5-13)6-7-14-8-10-16-11-9-14;/h2-
5H,6-11H2,1H3;1H

 
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