54L
Summary
| Name: | pent-4-ynoic acid |
| Formula: | C5 H6 O2 |
| Formal charge: | 0 |
| Formula weight: | 98.1 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | pent-4-ynoic acid |
| OpenEye OEToolkits | 1.9.2 | pent-4-ynoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCC#C)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7) |
| InChIKey | InChI | 1.03 | MLBYLEUJXUBIJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC#C |
| SMILES | CACTVS | 3.385 | OC(=O)CCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C#CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C#CCCC(=O)O |
