| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 4,5-Dimethoxy-1-cyanobenzocyclobutane 4,5-Dimethoxy-1-cyanobenzocyclob…
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CAS Numbers: 35202-54-1 , 40774-41-2 , [35202-54-1]
1-Cyano-4,5-dimethoxybenzocyclobutene
3,4-Dimethoxy-bicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
3,4-Dimethoxy-bicyclo[4.2.0]octa-1(; 6),2,4-triene-7-carbonitrile
3,4-Dimethoxy-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3,4-dimethoxy-
| 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) | 1.31 | 5.39 | -10.95 | 0 | 3 | 0 | 42 | 189.214 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 80 - 83 | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | US5296482 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.