| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 13 | Yes |
Popular Name: Cyclododecanone Cyclododecanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 830-13-7 , [830-13-7]
| 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) | 4.43 | 8.01 | -4.71 | 0 | 1 | 0 | 17 | 182.307 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 113 / 13 | TCI |
| BP [°C] | 277 | Acros Organics |
| Boiling_Point | 277? | Alfa-Aesar |
| Boiling_Point | 277° | Alfa-Aesar |
| MP | 58 - 60 | Enamine Building Blocks |
| MP | 58...60 | Enamine Building Blocks |
| Mp [°C] | 59 - 61 | Acros Organics |
| Melting_Point | 59-62? | Alfa-Aesar |
| Melting_Point | 59-62° | Alfa-Aesar |
| MP | 62 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| Hazard | N: Dangerous for the environment | Acros Organics |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| R phrase | R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S29: Do not empty into drains. | Acros Organics |
| S phrase | S29: Do not empty into drains.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
