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853797-67-8 | 4-Thiazolidinone, 5-methyl-2-(2-oxo-2-phenylethylidene)-, (2Z)-
CAS No: 853797-67-8 Catalog No: AG004OXK MDL No:
Product Description
Catalog Number:
AG004OXK
Chemical Name:
4-Thiazolidinone, 5-methyl-2-(2-oxo-2-phenylethylidene)-, (2Z)-
CAS Number:
853797-67-8
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
5-methyl-2-phenacylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO2S/c1-8-12(15)13-11(16-8)7-10(14)9-5-3-2-4-6-9/h2-8H,1H3,(H,13,15)
InChI Key:
GVMZUACWXQYFQP-UHFFFAOYSA-N
SMILES:
CC1S/C(=C\C(=O)c2ccccc2)/NC1=O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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