9D2
Summary
| Name: | 2-ethyl-2-(hydroxymethyl)propane-1,3-diol |
| Formula: | C6 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 134.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-ethyl-2-(hydroxymethyl)propane-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3 |
| InChIKey | InChI | 1.03 | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CO)(CO)CO |
| SMILES | CACTVS | 3.385 | CCC(CO)(CO)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(CO)(CO)CO |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(CO)(CO)CO |
