In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 16 | No |
Popular Name: Dimethyl 1,4-Cubanedicarboxylate Dimethyl 1,4-Cubanedicarboxylate
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CAS Numbers: 29412-62-2 , [29412-62-2]
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) | 1.71 | 7.18 | -8.37 | 0 | 4 | 0 | 53 | 220.224 | 4 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0324609A1; EP0324609B1; US4878968; WO2000012542A2 | IBM Patent Data |