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Home > Other Building Blocks > 89217-08-3
89217-08-3 | 9H-Xanthen-9-one,2-ethoxy-6-(2H-tetrazol-5-yl)-
CAS No: 89217-08-3 Catalog No: AG0043Q2 MDL No:
Product Description
Catalog Number:
AG0043Q2
Chemical Name:
9H-Xanthen-9-one,2-ethoxy-6-(2H-tetrazol-5-yl)-
CAS Number:
89217-08-3
Molecular Formula:
C16H12N4O3
Molecular Weight:
308.2915
IUPAC Name:
2-ethoxy-6-(2H-tetrazol-5-yl)xanthen-9-one
InChI:
InChI=1S/C16H12N4O3/c1-2-22-10-4-6-13-12(8-10)15(21)11-5-3-9(7-14(11)23-13)16-17-19-20-18-16/h3-8H,2H2,1H3,(H,17,18,19,20)
InChI Key:
MPTIYRLFOQQXKE-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)c1[nH]nnn1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.297g/mol
Monoisotopic Mass:
308.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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