| CAS Number | 1803593-41-0 |
| Catalog Number | AG01BCOR |
| Chemical Name | 3-[(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)amino]benzoic acid |
| IUPAC Name | 3-[(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)amino]benzoic acid |
| InChI | InChI=1S/C15H14N2O4/c18-13-11-6-1-2-7-12(11)14(19)17(13)16-10-5-3-4-9(8-10)15(20)21/h1-5,8,11-12,16H,6-7H2,(H,20,21) |
| InChI Key | HJBRBUAWGHYOIK-UHFFFAOYSA-N |
| MDL Number | MFCD27980978 |
| Molecular Formula | C15H14N2O4 |
| Molecular Weight | 286.2827 |
| SMILES | OC(C1=CC(NN2C(=O)C3C(CC=CC3)C2=O)=CC=C1)=O |
| Synonyms | 3-[(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)amino]benzoic acid,
1803593-41-0,
NE19930,
|
| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.287g/mol |
| Monoisotopic Mass | 286.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number