SHV
Summary
| Name: | HEPTANOIC ACID |
| Formula: | C7 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 130.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | heptanoic acid |
| OpenEye OEToolkits | 1.7.6 | heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | InChI | 1.03 | MNWFXJYAOYHMED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCC(=O)O |
