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331003-75-9 | (5Z)-5-(3-ETHOXY-4-HYDROXYBENZYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE
CAS No: 331003-75-9 Catalog No: AG007HB6 MDL No:MFCD00683374
Product Description
Catalog Number:
AG007HB6
Chemical Name:
(5Z)-5-(3-ETHOXY-4-HYDROXYBENZYLIDENE)-1,3-THIAZOLIDINE-2,4-DIONE
CAS Number:
331003-75-9
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
MDL Number:
MFCD00683374
IUPAC Name:
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H11NO4S/c1-2-17-9-5-7(3-4-8(9)14)6-10-11(15)13-12(16)18-10/h3-6,14H,2H2,1H3,(H,13,15,16)
InChI Key:
HTFKYUIYCWNLNL-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1O)/C=C/1\SC(=O)NC1=O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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