| CAS Number | 4403-43-4 |
| Catalog Number | AG01BDH0 |
| Chemical Name | 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide |
| IUPAC Name | 5-(1,3-dioxoisoindol-2-yl)pentanamide |
| InChI | InChI=1S/C13H14N2O3/c14-11(16)7-3-4-8-15-12(17)9-5-1-2-6-10(9)13(15)18/h1-2,5-6H,3-4,7-8H2,(H2,14,16) |
| InChI Key | UEGXDWPVTYVNGJ-UHFFFAOYSA-N |
| MDL Number | MFCD28064258 |
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.2619 |
| SMILES | NC(CCCCN1C(=O)C2=C(C=CC=C2)C1=O)=O |
| Synonyms | 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide,
4403-43-4,
ZINC98095395,
AKOS034787761,
FCH3607693,
MCULE-6272970777,
EN300-177286,
Z995305716,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.266g/mol |
| Monoisotopic Mass | 246.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number