HQR
Summary
| Name: | 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12N2O2/c1-3-4-5-11-6-7(2)10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13) |
| InChIKey | InChI | 1.03 | SPRYXRMJQASWIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(CCC=C)c(n1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cn(CCC=C)c(n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn(c(n1)C(=O)O)CCC=C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(c(n1)C(=O)O)CCC=C |
