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416885-36-4 | 2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS No: 416885-36-4 Catalog No: AG019JJ9 MDL No:MFCD01468425
Product Description
Catalog Number:
AG019JJ9
Chemical Name:
2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CAS Number:
416885-36-4
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD01468425
IUPAC Name:
2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO3S/c1-16-9-4-2-8(3-5-9)10(14)6-12-13-11(15)7-17-12/h2-6H,7H2,1H3,(H,13,15)
InChI Key:
NCDRCSXDLFLEDJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=C1SCC(=O)N1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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