| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 16 | No |
Popular Name: (S)-3-butene-1,2-diol-1-(p-toluenesulfonate) (S)-3-butene-1,2-diol-1-(p-tolue…
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CAS Number: 133095-74-6
| 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) | 1.65 | 1.7 | -11.26 | 1 | 4 | 0 | 64 | 242.296 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 57 - 63 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0474854B1; EP0474861B1; EP0561321A2; EP0561321A3; US5126268; US5250743; US5306638; US5445963 | IBM Patent Data |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
