| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 5 | Yes |
Popular Name: 3-Oxetanone 3-Oxetanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6704-31-0 , N/A , [6704-31-0]
| 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) | -0.67 | -0.14 | -5.43 | 0 | 2 | 0 | 26 | 72.063 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 5 - -3 | Enamine Building Blocks |
| MP | 5...-3 | Enamine Building Blocks |
| Boiling_Point | 140? | Alfa-Aesar |
| Boiling_Point | 140° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| H phrase | H226: Flammable liquid and vapor; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P280: Wear protective gloves/protective clothing/eye protection/face protection; P303 + P361 + P353: IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin | Acros Organics |
| R phrase | R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.