4BX
Summary
| Name: | 3-(1H-benzimidazol-2-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 | 11.02 | 3-(1H-benzimidazol-2-yl)propanoic acid |
| OpenEye OEToolkits | 1.6.1 | 3-(1H-benzimidazol-2-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(O)CCc2nc1ccccc1n2 |
| SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CCc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.352 | OC(=O)CCc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)[nH]c(n2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)[nH]c(n2)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O2/c13-10(14)6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | XYWJNTOURDMTPI-UHFFFAOYSA-N |
