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4-[(2,4,6-trimethylphenyl)iminomethyl]benzene-1,2-diol,Canonical SMIL

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摘 要: 4-[(2,4,6-trimethylphenyl)iminomethyl]benzene-1,2-diol,Canonical SMILES: CC1=CC(=C(C(=C1)C)N=CC2=CC(=C(C=C2)O)O)C,InChI: InChI=1/C16H17NO2/c1-10-6-11(2)16(12(3)7-10)17-9-13-4-5-14(18)15(19)8-,13/h4-9,18-19H,1-3H3/b17-9+,Molecular Weight255.31168 [g/
[Synonyms]

[Structure]
 4-[(2,4,6-trimethylphenyl)iminomethyl]benzene-1,2-diol,Canonical SMIL

[ Properties Computed from Structure]
Molecular Weight255.31168 [g/mol]
Molecular FormulaC16H17NO2
XLogP3.9
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count2
Tautomer Count12
Exact Mass255.125929
MonoIsotopic Mass255.125929
Topological Polar Surface Area52.8
Heavy Atom Count19
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-[(2,4,6-trimethylphenyl)iminomethyl]benzene-1,2-diol
Canonical SMILES: CC1=CC(=C(C(=C1)C)N=CC2=CC(=C(C=C2)O)O)C
InChI: InChI=1/C16H17NO2/c1-10-6-11(2)16(12(3)7-10)17-9-13-4-5-14(18)15(19)8-
13/h4-9,18-19H,1-3H3/b17-9+

 
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