| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: 2,6-Dimethylcyclohexanone, cis + trans, 99% 2,6-Dimethylcyclohexanone, cis +…
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CAS Number: 2816-57-1
"2,6-Dimethylcyclohexanone, 99%"
2,6-Dimethylcyclohexanone (mixture of isomers)
2,6-Dimethylcyclohexanone, 99%, mixture of isomers
| 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) | 1.88 | 5.04 | -4.64 | 0 | 1 | 0 | 17 | 126.199 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 174 - 176 | Acros Organics |
| Boiling_Point | 174-176? | Alfa-Aesar |
| Boiling_Point | 174-176° | Alfa-Aesar |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.