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917602-12-1 | 2,4-Thiazolidinedione, 5-[(2-phenoxyphenyl)methylene]-, (5Z)-
CAS No: 917602-12-1 Catalog No: AG006DKR MDL No:
Product Description
Catalog Number:
AG006DKR
Chemical Name:
2,4-Thiazolidinedione, 5-[(2-phenoxyphenyl)methylene]-, (5Z)-
CAS Number:
917602-12-1
Molecular Formula:
C16H11NO3S
Molecular Weight:
297.3284
IUPAC Name:
5-[(2-phenoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C16H11NO3S/c18-15-14(21-16(19)17-15)10-11-6-4-5-9-13(11)20-12-7-2-1-3-8-12/h1-10H,(H,17,18,19)
InChI Key:
HJDHEMGPYLPENJ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)/C(=C/c2ccccc2Oc2ccccc2)/S1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.328g/mol
Monoisotopic Mass:
297.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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