| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | Yes |
Popular Name: Phenylacetylene Phenylacetylene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 126716-66-3 , 13146-23-1 , 536-74-3
| 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) | 1.70 | 2.66 | -3.96 | 0 | 0 | 0 | 0 | 102.136 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 44.8 | Acros Organics |
| Melting_Point | 45? | Alfa-Aesar |
| Melting_Point | 45° | Alfa-Aesar |
| BP | 142 | TCI |
| BP [°C] | 142 - 144 | Acros Organics |
| Boiling_Point | 142-144? | Alfa-Aesar |
| BP | 142-144° | Oakwood Chemical |
| MP | 67 - 69 | Enamine Building Blocks |
| MP | 67...69 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.