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AH 7079 ,7-Methoxy-2-(1H-tetrazol-5-yl)xanthen-9-one ,9H-Xanthen-9-one

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摘 要:AH 7079 ,7-Methoxy-2-(1H-tetrazol-5-yl)xanthen-9-one ,9H-Xanthen-9-one, 2-methoxy-7-(1H-tetrazol-5-yl)-,33440-58-3, 2-methoxy-7-(2H-tetrazol-5-yl)xanthen-9-one,Canonical SMILES: COC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C4=NNN=N4,InChI: InChI=1/C15H10N4O3/
[Synonyms]
AH 7079
7-Methoxy-2-(1H-tetrazol-5-yl)xanthen-9-one
9H-Xanthen-9-one, 2-methoxy-7-(1H-tetrazol-5-yl)-
33440-58-3

[Structure]
AH 7079 ,7-Methoxy-2-(1H-tetrazol-5-yl)xanthen-9-one ,9H-Xanthen-9-one

[ Properties Computed from Structure]
Molecular Weight294.2649 [g/mol]
Molecular FormulaC15H10N4O3
XLogP3.3
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count2
Tautomer Count2
Exact Mass294.07529
MonoIsotopic Mass294.07529
Topological Polar Surface Area90
Heavy Atom Count22
Formal Charge0
Complexity435
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: 2-methoxy-7-(2H-tetrazol-5-yl)xanthen-9-one
Canonical SMILES: COC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C=C3)C4=NNN=N4
InChI: InChI=1/C15H10N4O3/c1-21-9-3-5-13-11(7-9)14(20)10-6-8(2-4-12(10)22-13)
15-16-18-19-17-15/h2-7H,1H3,(H,16,17,18,19)/f/h18H

 
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