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26313-11-1 | 4-Thiazolidinone, 2-(2-oxo-2-phenylethylidene)-, (2Z)-
CAS No: 26313-11-1 Catalog No: AG002SP0 MDL No:
Product Description
Catalog Number:
AG002SP0
Chemical Name:
4-Thiazolidinone, 2-(2-oxo-2-phenylethylidene)-, (2Z)-
CAS Number:
26313-11-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
2-phenacylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NO2S/c13-9(8-4-2-1-3-5-8)6-11-12-10(14)7-15-11/h1-6H,7H2,(H,12,14)
InChI Key:
BTDQKQGXDXRJGG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/1\SCC(=O)N1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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