EXB
Summary
| Name: | 3-(1H-benzimidazol-1-yl)propanoic acid |
| Formula: | C10 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 190.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(1H-benzimidazol-1-yl)propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(benzimidazol-1-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCn1c2ccccc2nc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCn1cnc2ccccc12 |
| SMILES | CACTVS | 3.341 | OC(=O)CCn1cnc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncn2CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)ncn2CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c13-10(14)5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,5-6H2,(H,13,14) |
| InChIKey | InChI | 1.03 | XKGRXBQGCQJOHQ-UHFFFAOYSA-N |
