J3J
Summary
| Name: | 1,3-dihydroxypropan-2-yl butanoate |
| Formula: | C7 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 162.184 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3-dihydroxypropan-2-yl butanoate |
| OpenEye OEToolkits | 2.0.6 | 1,3-bis(oxidanyl)propan-2-yl butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC(CO)OC(CCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C7H14O4/c1-2-3-7(10)11-6(4-8)5-9/h6,8-9H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | PVPWPCLNZDBNFK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=O)OC(CO)CO |
| SMILES | CACTVS | 3.385 | CCCC(=O)OC(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCC(=O)OC(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCC(=O)OC(CO)CO |
