Y39
Summary
| Name: | (1S,2S)-2-nonylcyclopropanecarboxylic acid |
| Formula: | C13 H24 O2 |
| Formal charge: | 0 |
| Formula weight: | 212.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-2-nonylcyclopropanecarboxylic acid |
| OpenEye OEToolkits | 1.9.2 | (1S,2S)-2-nonylcyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CC1CCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | GVGYASDUOPEXET-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCC[C@H]1C[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCC[CH]1C[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCC[C@H]1C[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCC1CC1C(=O)O |
