A1CS3
Summary
| Name: | methyl (1S)-2-oxocyclopentane-1-carboxylate |
| Formula: | C7 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 142.152 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | methyl (1S)-2-oxocyclopentane-1-carboxylate |
| OpenEye OEToolkits | 3.1.0.0 | methyl (1~{S})-2-oxidanylidenecyclopentane-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCCC1C(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | PZBBESSUKAHBHD-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)[C@H]1CCCC1=O |
| SMILES | CACTVS | 3.385 | COC(=O)[CH]1CCCC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COC(=O)[C@H]1CCCC1=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC(=O)C1CCCC1=O |
