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89216-92-2 | 9H-Xanthene-3-carboxamide, 7-(methylthio)-9-oxo-
CAS No: 89216-92-2 Catalog No: AG0043Q7 MDL No:
Product Description
Catalog Number:
AG0043Q7
Chemical Name:
9H-Xanthene-3-carboxamide, 7-(methylthio)-9-oxo-
CAS Number:
89216-92-2
Molecular Formula:
C15H11NO3S
Molecular Weight:
285.3177
IUPAC Name:
7-methylsulfanyl-9-oxoxanthene-3-carboxamide
InChI:
InChI=1S/C15H11NO3S/c1-20-9-3-5-12-11(7-9)14(17)10-4-2-8(15(16)18)6-13(10)19-12/h2-7H,1H3,(H2,16,18)
InChI Key:
BOUPIZDYPLXXGM-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)N
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.317g/mol
Monoisotopic Mass:
285.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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