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82069-81-6 | 2,4-Oxazolidinedione, 5-(4-ethoxy-3-thienyl)-
CAS No: 82069-81-6 Catalog No: AG0052P5 MDL No:
Product Description
Catalog Number:
AG0052P5
Chemical Name:
2,4-Oxazolidinedione, 5-(4-ethoxy-3-thienyl)-
CAS Number:
82069-81-6
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
5-(4-ethoxythiophen-3-yl)-1,3-oxazolidine-2,4-dione
InChI:
InChI=1S/C9H9NO4S/c1-2-13-6-4-15-3-5(6)7-8(11)10-9(12)14-7/h3-4,7H,2H2,1H3,(H,10,11,12)
InChI Key:
NMPFQWJYPORDTF-UHFFFAOYSA-N
SMILES:
CCOc1cscc1C1OC(=O)NC1=O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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