DBA
Summary
| Name: | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID |
| Formula: | C10 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 180.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2,6-dimethylphenoxy)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(2,6-dimethylphenoxy)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)COc1c(cccc1C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(C)c1OCC(O)=O |
| SMILES | CACTVS | 3.341 | Cc1cccc(C)c1OCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1OCC(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1OCC(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | MLBCURLNKYKBEQ-UHFFFAOYSA-N |
