| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 12 | Yes |
Popular Name: 2-Hydroxy-3-methoxyphenylacetonitrile 2-Hydroxy-3-methoxyphenylacetoni…
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CAS Numbers: 42973-56-8 , [42973-56-8]
2-(2-Hydroxy-3-methoxyphenyl)acetonitrile
Benzeneacetonitrile,2-hydroxy-3-methoxy-
| 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) | 1.45 | 2.84 | -11.73 | 1 | 3 | 0 | 53 | 163.176 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 104-106° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.