JNM
Summary
| Name: | 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one |
| Formula: | C11 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 194.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,6-dihydroxy-3-propylphenyl)ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-[2,6-bis(oxidanyl)-3-propyl-phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(C)c1c(O)c(CCC)ccc1O |
| InChI | InChI | 1.03 | InChI=1S/C11H14O3/c1-3-4-8-5-6-9(13)10(7(2)12)11(8)14/h5-6,13-14H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | NMAPMZGVYBPUKX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1ccc(O)c(C(C)=O)c1O |
| SMILES | CACTVS | 3.385 | CCCc1ccc(O)c(C(C)=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCc1ccc(c(c1O)C(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCc1ccc(c(c1O)C(=O)C)O |
