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Home > Other Building Blocks > 89217-13-0
89217-13-0 | 9H-Xanthen-9-one, 2-(3-hydroxypropoxy)-6-(1H-tetrazol-5-yl)-
CAS No: 89217-13-0 Catalog No: AG0044PZ MDL No:
Product Description
Catalog Number:
AG0044PZ
Chemical Name:
9H-Xanthen-9-one, 2-(3-hydroxypropoxy)-6-(1H-tetrazol-5-yl)-
CAS Number:
89217-13-0
Molecular Formula:
C17H14N4O4
Molecular Weight:
338.3175
IUPAC Name:
2-(3-hydroxypropoxy)-6-(2H-tetrazol-5-yl)xanthen-9-one
InChI:
InChI=1S/C17H14N4O4/c22-6-1-7-24-11-3-5-14-13(9-11)16(23)12-4-2-10(8-15(12)25-14)17-18-20-21-19-17/h2-5,8-9,22H,1,6-7H2,(H,18,19,20,21)
InChI Key:
LFKKEDHMAHXVJE-UHFFFAOYSA-N
SMILES:
OCCCOc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)c1nnn[nH]1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.102g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.323g/mol
Monoisotopic Mass:
338.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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