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89217-64-1 | 9H-Xanthen-9-one, 2-amino-6-(1H-tetrazol-5-yl)-
CAS No: 89217-64-1 Catalog No: AG0044PR MDL No:
Product Description
Catalog Number:
AG0044PR
Chemical Name:
9H-Xanthen-9-one, 2-amino-6-(1H-tetrazol-5-yl)-
CAS Number:
89217-64-1
Molecular Formula:
C14H9N5O2
Molecular Weight:
279.2536
IUPAC Name:
2-amino-6-(2H-tetrazol-5-yl)xanthen-9-one
InChI:
InChI=1S/C14H9N5O2/c15-8-2-4-11-10(6-8)13(20)9-3-1-7(5-12(9)21-11)14-16-18-19-17-14/h1-6H,15H2,(H,16,17,18,19)
InChI Key:
VDNDSCHUKPWAGZ-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)c1nnn[nH]1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.076g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.259g/mol
Monoisotopic Mass:
279.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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