HLP
Summary
| Name: | 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid |
| Formula: | C9 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 192.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(1H-imidazol-1-yl)methyl]furan-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 5-(imidazol-1-ylmethyl)furan-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1(cncc1)Cc2ccc(C(=O)O)o2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8N2O3/c12-9(13)8-2-1-7(14-8)5-11-4-3-10-6-11/h1-4,6H,5H2,(H,12,13) |
| InChIKey | InChI | 1.03 | NNJVURHBCVIUHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(Cn2ccnc2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1oc(Cn2ccnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(oc1Cn2ccnc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(oc1Cn2ccnc2)C(=O)O |
