| CAS Number | 1052688-16-0 |
| Catalog Number | AG01C0FS |
| Chemical Name | 2-Benzyl-4-hydroxyisoindoline-1,3-dione |
| IUPAC Name | 2-benzyl-4-hydroxyisoindole-1,3-dione |
| InChI | InChI=1S/C15H11NO3/c17-12-8-4-7-11-13(12)15(19)16(14(11)18)9-10-5-2-1-3-6-10/h1-8,17H,9H2 |
| InChI Key | LSJDIDLQTWIFLE-UHFFFAOYSA-N |
| MDL Number | MFCD20130402 |
| Molecular Formula | C15H11NO3 |
| Molecular Weight | 253.2527 |
| SMILES | O=C1N(CC2=CC=CC=C2)C(C3=C1C=CC=C3O)=O |
| Synonyms | 2-benzyl-4-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione,
1052688-16-0,
SCHEMBL19052111,
ZINC71780655,
AKOS034072368,
|
| Complexity | 376 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.257g/mol |
| Monoisotopic Mass | 253.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number