PPI
Summary
| Name: | PROPANOIC ACID |
| Formula: | C3 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 74.079 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | propanoic acid |
| OpenEye OEToolkits | 1.5.0 | propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(O)=O |
| SMILES | CACTVS | 3.341 | CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
| InChIKey | InChI | 1.03 | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
