| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | Yes |
Popular Name: 2,3,4-Trimethoxyphenylacetonitrile 2,3,4-Trimethoxyphenylacetonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 68913-85-9 , [68913-85-9]
| 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) | 1.73 | 4.71 | -11.09 | 0 | 4 | 0 | 51 | 207.229 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 135°/1mm | Matrix Scientific |
| MP | 29-31° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
