| CAS Number | 91135-57-8 |
| Catalog Number | AG01AD58(AGN-PC-0VRQUW) |
| Chemical Name | 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile |
| IUPAC Name | 2-(1,3-dioxoisoindol-2-yl)propanenitrile |
| InChI | InChI=1S/C11H8N2O2/c1-7(6-12)13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5,7H,1H3 |
| InChI Key | CCMYZTUSYFAWOI-UHFFFAOYSA-N |
| MDL Number | MFCD12783505 |
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.1934 |
| SMILES | CC(N1C(=O)C2=C(C=CC=C2)C1=O)C#N |
| Synonyms | 91135-57-8,
2-(1,3-dioxoisoindolin-2-yl)propanenitrile,
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile,
2-phthalimido propanenitrile,
phthalimidopropionitrile,
SCHEMBL11408262,
FCH762252,
MFCD12783505,
AKOS006039689,
MCULE-2489462741,
NE60190,
BBV-32364548,
EN300-142263,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.197g/mol |
| Monoisotopic Mass | 200.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number