3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid
Also Known As: Oprea1_263876|ACMC-20e095|IFLab1_005162|3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid|BAS 00649018|SDCCGMLS-0065590.P001|3-(1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoic acid|3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid|3-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzoic acid|Benzoic acid, 3-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-2H-isoindol-2-yl)-|F1189-0029|3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-benzoic acid|3-(1,3-dioxo-4,7,3a,7a-tetrahydroisoindol-2-yl)benzoic acid
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08447 g/mol |
| LogP | 1.8404 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.08447 |
| Monoisotopic Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 608.5156 |
Chemical Identifiers
| CAS Number | 89446-98-0 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O |
Product Overview
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid (CAS 89446-98-0), with molecular formula C15H13NO4 and molecular weight 271.08447 g/mol. IUPAC: 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid.