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Data API HM0
1-cyclobutylimidazole-2-carboxylic acid
| Created: | 2021-01-19 |
| Last modified: | 2022-01-19 |
Find Related PDB Entry |
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| 1 entries where HM0 is found as a standalone ligand |
Chemical Details |
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| Formal Charge | 0 |
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| Atom Count | 22 |
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| Chiral Atom Count | 0 |
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| Bond Count | 23 |
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| Aromatic Bond Count | 5 |
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Toggle HydrogenToggle Labels
Chemical Component Summary |
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| Name | 1-cyclobutylimidazole-2-carboxylic acid |
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| Systematic Name (OpenEye OEToolkits) | 1-cyclobutylimidazole-2-carboxylic acid |
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| Formula | C8 H10 N2 O2 |
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| Molecular Weight | 166.177 |
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| Type | NON-POLYMER |
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Chemical Descriptors |
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| Type | Program | Version | Descriptor |
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| SMILES | CACTVS | 3.385 | OC(=O)c1nccn1C2CCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(c(n1)C(=O)O)C2CCC2 |
| Canonical SMILES | CACTVS | 3.385 | OC(=O)c1nccn1C2CCC2 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(c(n1)C(=O)O)C2CCC2 |
| InChI | InChI | 1.03 | InChI=1S/C8H10N2O2/c11-8(12)7-9-4-5-10(7)6-2-1-3-6/h4-6H,1-3H2,(H,11,12) |
| InChIKey | InChI | 1.03 | NZCLFPVXVQMPNV-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|
| PubChem | 83873455 |
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