51X
Summary
| Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid |
| Formula: | C10 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 205.167 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(CN2C(=O)c1ccccc1C2=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13) |
| InChIKey | InChI | 1.03 | WQINSVOOIJDOLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN1C(=O)c2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | OC(=O)CN1C(=O)c2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)C(=O)N(C2=O)CC(=O)O |
