| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 7 | No |
Popular Name: Methyl pyruvate Methyl pyruvate
Find On: PubMed — Wikipedia — Google
CAS Number: 600-22-6
Methyl 2-oxopropanoate; Methyl 2-oxopropionate
Methyl 2-oxopropionate; Methylglyoxylic acid methyl ester; Pyruvic acid, methyl ester
| 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) | -0.28 | 2.58 | -5.33 | 0 | 3 | 0 | 43 | 102.089 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.49 | 1 | -39.9 | 0 | 3 | -1 | 49 | 101.081 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 134 - 137 | Acros Organics |
| Boiling Point | 134-137 | SynQuest Building Blocks |
| Boiling_Point | 135-137? | Alfa-Aesar |
| Boiling_Point | 135-137° | Alfa-Aesar |
| BP | 138 | TCI |
| MP | 62 - 64 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| H phrase | H315: Causes skin irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.