In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 15th, 2008 | 13 | Yes |
Popular Name: 6-hydroxy-2H-1,3-benzodioxole-5-carboxylic acid 6-hydroxy-2H-1,3-benzodioxole-5-…
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CAS Number: 4890-01-1
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) | 1.74 | 0.83 | -49.06 | 1 | 5 | -1 | 79 | 181.123 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 189 - 191 | Enamine Building Blocks |
MP | 189...191 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |