SHF
Summary
| Name: | LAEVULINIC ACID |
| Synonyms: | LEVULINIC ACID |
| Formula: | C5 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 116.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxopentanoic acid |
| OpenEye OEToolkits | 1.7.6 | 4-oxidanylidenepentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
| InChIKey | InChI | 1.03 | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.370 | CC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)CCC(=O)O |
