PML
Summary
| Name: | PIMELIC ACID |
| Formula: | C7 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 160.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | heptanedioic acid |
| OpenEye OEToolkits | 1.5.0 | heptanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCC(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CCC(=O)O)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
| InChIKey | InChI | 1.03 | WLJVNTCWHIRURA-UHFFFAOYSA-N |
