| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 2-Ethyl-3-hydroxy-4H-pyran-4-one 2-Ethyl-3-hydroxy-4H-pyran-4-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118-71-8 , 4940-11-8 , [4940-11-8]
| 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) | 0.33 | 1.94 | -13.61 | 1 | 3 | 0 | 50 | 140.138 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.896 | Bitter DB |
| Melting_Point | 161-165? | Alfa-Aesar |
| Melting_Point | 161-165° | Alfa-Aesar |
| Boiling_Point | 170?/100mm | Alfa-Aesar |
| Boiling_Point | 170°/100mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 92 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P264: Wash face, hands and any exposed skin thoroughly after handling; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.