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82069-43-0 | 2,4-Oxazolidinedione, 5-(3-thienyl)-
CAS No: 82069-43-0 Catalog No: AG004X4I MDL No:
Product Description
Catalog Number:
AG004X4I
Chemical Name:
2,4-Oxazolidinedione, 5-(3-thienyl)-
CAS Number:
82069-43-0
Molecular Formula:
C7H5NO3S
Molecular Weight:
183.1845
IUPAC Name:
5-thiophen-3-yl-1,3-oxazolidine-2,4-dione
InChI:
InChI=1S/C7H5NO3S/c9-6-5(11-7(10)8-6)4-1-2-12-3-4/h1-3,5H,(H,8,9,10)
InChI Key:
YNPAMTVSUKRXBH-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(O1)c1cscc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.181g/mol
Monoisotopic Mass:
182.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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