| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | Yes |
Popular Name: 3-phenoxypropanoic acid 3-phenoxypropanoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 7170-38-9
| 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) | 1.51 | 4.55 | -44.49 | 0 | 3 | -1 | 49 | 165.168 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 235 - 245 | Acros Organics |
| Boiling_Point | 243-245? | Alfa-Aesar |
| Boiling_Point | 243-245° | Alfa-Aesar |
| BP | 245 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Mp [°C] | 96 - 100 | Acros Organics |
| Melting_Point | 96-99? | Alfa-Aesar |
| Melting_Point | 96-99° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| MP | 98 | TCI |
| MP | 98 - 100 | Enamine Building Blocks |
| MP | 98...100 | Enamine Building Blocks |
| Purity | 99% | APIChem |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.