| CAS Number | 93847-22-4 |
| Catalog Number | AG01FT75(AGN-PC-0MVDBP) |
| Chemical Name | 1,2-Dibenzylpyrazolidine-3,5-dione |
| IUPAC Name | 1,2-dibenzylpyrazolidine-3,5-dione |
| InChI | InChI=1S/C17H16N2O2/c20-16-11-17(21)19(13-15-9-5-2-6-10-15)18(16)12-14-7-3-1-4-8-14/h1-10H,11-13H2 |
| InChI Key | JOOQMPBHEPOORK-UHFFFAOYSA-N |
| MDL Number | MFCD32661470 |
| Molecular Formula | C17H16N2O2 |
| Molecular Weight | 280.3211 |
| SMILES | C(C1=CC=CC=C1)N1N(C(CC1=O)=O)CC1=CC=CC=C1 |
| Synonyms | 1,2-dibenzylpyrazolidine-3,5-dione,
93847-22-4,
CID9900343,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.121178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.32g/mol |
| Monoisotopic Mass | 280.121178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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