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79680-43-6 | 1H-Pyrrole-2,3-dione, 4,5-diphenyl-
CAS No: 79680-43-6 Catalog No: AG005INI MDL No:
Product Description
Catalog Number:
AG005INI
Chemical Name:
1H-Pyrrole-2,3-dione, 4,5-diphenyl-
CAS Number:
79680-43-6
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
4,5-diphenyl-1H-pyrrole-2,3-dione
InChI:
InChI=1S/C16H11NO2/c18-15-13(11-7-3-1-4-8-11)14(17-16(15)19)12-9-5-2-6-10-12/h1-10H,(H,17,18,19)
InChI Key:
LOHZJEYURJJPLG-UHFFFAOYSA-N
SMILES:
O=C1C(=O)NC(=C1c1ccccc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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