ZRI
Summary
| Name: | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid |
| Formula: | C9 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 163.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S})-2-pyridin-2-ylcyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CC1c1ccccn1 |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.06 | ZFZMEVZZAIRAHE-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1C[C@@H]1c2ccccn2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH]1c2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)[C@H]2C[C@@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccnc(c1)C2CC2C(=O)O |
