C1F
Summary
| Name: | 3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONIC |
| Formula: | C12 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 240.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2-carboxyethyl)-4-methyl-5-propyl-furan-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCc1oc(c(c1C(=O)O)C)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCc1oc(CCC(O)=O)c(C(O)=O)c1C |
| SMILES | CACTVS | 3.341 | CCCc1oc(CCC(O)=O)c(C(O)=O)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | WMCQWXZMVIETAO-UHFFFAOYSA-N |
