| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: 2,3-Dimethyl-4-methoxyphenylacetonitrile 2,3-Dimethyl-4-methoxyphenylacet…
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CAS Numbers: 206559-60-6 , [206559-60-6]
| 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) | 2.71 | 6.13 | -8.9 | 0 | 2 | 0 | 33 | 175.231 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 77-80° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
