5KO
Summary
| Name: | (3R)-3-hydroxybutanal |
| Synonyms: | Faropenem adduct |
| Formula: | C4 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 88.105 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-hydroxybutanal |
| OpenEye OEToolkits | 1.9.2 | (3R)-3-oxidanylbutanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCC(C)O |
| InChI | InChI | 1.03 | InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | HSJKGGMUJITCBW-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)CC=O |
| SMILES | CACTVS | 3.385 | C[CH](O)CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@H](CC=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(CC=O)O |
