In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 12 | Yes |
Popular Name: 3(2H)-Benzofuranone, 2,2-dimethyl- 3(2H)-Benzofuranone, 2,2-dimethyl-
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CAS Number: 16748-90-6
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) | 2.14 | 4.89 | -6.01 | 0 | 2 | 0 | 26 | 162.188 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | EP0684824A1; US5521190; US5532367; US5532370; US5534518; US5536725; US5547954; US5593998; US5616718; US5639753; US5710157; US5712281; US5874579; WO1994018980A1; WO1994027439A1 | IBM Patent Data |
PUBCHEM_PATENT_ID | US5521190; US5532367; US5536725; US5639753; US5712281 | IBM Patent Data |
PUBCHEM_PATENT_ID | US5536725; US5712281 | IBM Patent Data |