| CAS Number | 1937228-69-7 |
| Catalog Number | AG019TJJ |
| Chemical Name | 2-[3-(hydroxyimino)cyclopentyl]-2,3-dihydro-1H-isoindole-1,3-dione |
| IUPAC Name | 2-(3-hydroxyiminocyclopentyl)isoindole-1,3-dione |
| InChI | InChI=1S/C13H12N2O3/c16-12-10-3-1-2-4-11(10)13(17)15(12)9-6-5-8(7-9)14-18/h1-4,9,18H,5-7H2 |
| InChI Key | AXDDETXWXIGFAP-UHFFFAOYSA-N |
| MDL Number | MFCD29942773 |
| Molecular Formula | C13H12N2O3 |
| Molecular Weight | 244.2460 |
| SMILES | ON=C1CC(N2C(=O)C3=C(C=CC=C3)C2=O)CC1 |
| Synonyms | 2-[3-(hydroxyimino)cyclopentyl]-2,3-dihydro-1H-isoindole-1,3-dione,
1937228-69-7,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.25g/mol |
| Monoisotopic Mass | 244.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1 |
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Certificate of Analysis
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