| CAS Number | 92789-55-4 |
| Catalog Number | AG00IHBZ(AGN-PC-0WRA4R) |
| Chemical Name | 2-[3-(Hydroxymethyl)phenyl]isoindole-1,3-dione |
| IUPAC Name | 2-[3-(hydroxymethyl)phenyl]isoindole-1,3-dione |
| InChI | InChI=1S/C15H11NO3/c17-9-10-4-3-5-11(8-10)16-14(18)12-6-1-2-7-13(12)15(16)19/h1-8,17H,9H2 |
| InChI Key | WMVFXFHZAQLFHT-UHFFFAOYSA-N |
| MDL Number | MFCD13281987 |
| Molecular Formula | C15H11NO3 |
| Molecular Weight | 253.2527 |
| SMILES | OCc1cccc(c1)N1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 2-[3-(hydroxymethyl)phenyl]isoindole-1,3-dione,
92789-55-4,
ZINC40619997,
AKOS010455447,
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| Complexity | 358 |
| 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 | 1.5 |
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Certificate of Analysis
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