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Home > Other Building Blocks > 89216-84-2
89216-84-2 | 9H-Xanthen-9-one, 2-methoxy-6-(1H-tetrazol-5-yl)-
CAS No: 89216-84-2 Catalog No: AG0044Q8 MDL No:
Product Description
Catalog Number:
AG0044Q8
Chemical Name:
9H-Xanthen-9-one, 2-methoxy-6-(1H-tetrazol-5-yl)-
CAS Number:
89216-84-2
Molecular Formula:
C15H10N4O3
Molecular Weight:
294.2649
IUPAC Name:
2-methoxy-6-(2H-tetrazol-5-yl)xanthen-9-one
InChI:
InChI=1S/C15H10N4O3/c1-21-9-3-5-12-11(7-9)14(20)10-4-2-8(6-13(10)22-12)15-16-18-19-17-15/h2-7H,1H3,(H,16,17,18,19)
InChI Key:
YTYRBNMFLQCUEX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)c1nnn[nH]1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.27g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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