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67618-82-0 | 1H-Pyrrole-2,5-dione, 1-(thiazolyl)-
CAS No: 67618-82-0 Catalog No: AG006DET MDL No:
Product Description
Catalog Number:
AG006DET
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(thiazolyl)-
CAS Number:
67618-82-0
Molecular Formula:
C7H4N2O2S
Molecular Weight:
180.1839
IUPAC Name:
1-(1,3-thiazol-2-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C7H4N2O2S/c10-5-1-2-6(11)9(5)7-8-3-4-12-7/h1-4H
InChI Key:
CZAWWXVEMAQIGE-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1nccs1
NSC Number:
80808
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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