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89217-54-9 | 9H-Xanthene-3-carboxamide, 7-(ethylthio)-9-oxo-
CAS No: 89217-54-9 Catalog No: AG0043PV MDL No:
Product Description
Catalog Number:
AG0043PV
Chemical Name:
9H-Xanthene-3-carboxamide, 7-(ethylthio)-9-oxo-
CAS Number:
89217-54-9
Molecular Formula:
C16H13NO3S
Molecular Weight:
299.3443
IUPAC Name:
7-ethylsulfanyl-9-oxoxanthene-3-carboxamide
InChI:
InChI=1S/C16H13NO3S/c1-2-21-10-4-6-13-12(8-10)15(18)11-5-3-9(16(17)19)7-14(11)20-13/h3-8H,2H2,1H3,(H2,17,19)
InChI Key:
ZRSGNXZQXXXROO-UHFFFAOYSA-N
SMILES:
CCSc1ccc2c(c1)c(=O)c1c(o2)cc(cc1)C(=O)N
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.344g/mol
Monoisotopic Mass:
299.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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