In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 31st, 2006 | 13 | Yes |
Popular Name: 3,3-dimethyl-2-(1H-pyrrol-1-yl)butanoic acid 3,3-dimethyl-2-(1H-pyrrol-1-yl)b…
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CAS Number: 338963-14-7
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) | 1.86 | 6.39 | -43.18 | 0 | 3 | -1 | 45 | 180.227 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | BP: (8mm Hg) 140 | KeyOrganics |