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Home > Other Building Blocks > 89217-62-9
89217-62-9 | 9H-Xanthen-9-one, 3-(1H-tetrazol-5-yl)-
CAS No: 89217-62-9 Catalog No: AG0044PS MDL No:
Product Description
Catalog Number:
AG0044PS
Chemical Name:
9H-Xanthen-9-one, 3-(1H-tetrazol-5-yl)-
CAS Number:
89217-62-9
Molecular Formula:
C14H8N4O2
Molecular Weight:
264.2389
IUPAC Name:
3-(2H-tetrazol-5-yl)xanthen-9-one
InChI:
InChI=1S/C14H8N4O2/c19-13-9-3-1-2-4-11(9)20-12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)
InChI Key:
AOFYKQRNJOGDLE-UHFFFAOYSA-N
SMILES:
O=c1c2ccc(cc2oc2c1cccc2)c1nnn[nH]1
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.244g/mol
Monoisotopic Mass:
264.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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