| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 8 | Yes |
Popular Name: 5-Hexenoic acid 5-Hexenoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 1577-22-6
| 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) | 1.49 | 4.05 | -45.02 | 0 | 2 | -1 | 40 | 113.136 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 107?/17mm | Alfa-Aesar |
| Boiling_Point | 107°/17mm | Alfa-Aesar |
| BP | 203 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Hazard | C: Corrosive | Acros Organics |
| PUBCHEM_PATENT_ID | EP0670831A1; WO1995009159A1 | IBM Patent Data |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a | Acros Organics |
| R phrase | R34: Causes burns. | Acros Organics |
