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87780-44-7 | 4-Thiazolidinone, 2-(2-hydroxyphenyl)-3-(1-oxido-2-pyridinyl)-
CAS No: 87780-44-7 Catalog No: AG004I8L MDL No:
Product Description
Catalog Number:
AG004I8L
Chemical Name:
4-Thiazolidinone, 2-(2-hydroxyphenyl)-3-(1-oxido-2-pyridinyl)-
CAS Number:
87780-44-7
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
IUPAC Name:
2-(2-hydroxyphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H12N2O3S/c17-11-6-2-1-5-10(11)14-16(13(18)9-20-14)12-7-3-4-8-15(12)19/h1-8,14,17H,9H2
InChI Key:
BDUBMKCFAYBLKU-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C1SCC(=O)N1c1cccc[n+]1[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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