| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 13 | Yes |
Popular Name: (2,6-Dimethyl-phenoxy)-acetic acid (2,6-Dimethyl-phenoxy)-acetic acid
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CAS Numbers: , 13335-71-2 , 78811-27-5 , [13335-71-2]
(2,6-dimethylphenoxy)acetic acid
2,6-Dimethylphenoxyacetic acid
2-(2,6-dimethylphenoxy)acetic acid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.04 | 1.73 | -49.42 | 0 | 3 | -1 | 49 | 179.195 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.17e+00 g/l | DrugBank-experimental |
| MP | 138 - 140 | Enamine Building Blocks |
| MP | 138...140 | Enamine Building Blocks |
| MP | 141° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
