HLF
Summary
| Name: | 1-but-3-enylimidazole-2-carboxylic acid |
| Formula: | C8 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-but-3-enylimidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2O2/c1-2-3-5-10-6-4-9-7(10)8(11)12/h2,4,6H,1,3,5H2,(H,11,12) |
| InChIKey | InChI | 1.03 | CCCXBVCIZGOYTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nccn1CCC=C |
| SMILES | CACTVS | 3.385 | OC(=O)c1nccn1CCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCCn1ccnc1C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCCn1ccnc1C(=O)O |
