LEA
Summary
| Name: | PENTANOIC ACID |
| Synonyms: | VALERIC ACID |
| Formula: | C5 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 102.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pentanoic acid |
| OpenEye OEToolkits | 1.7.6 | pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
| InChIKey | InChI | 1.03 | NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCC(O)=O |
| SMILES | CACTVS | 3.370 | CCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCC(=O)O |
