| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 10 | Yes |
Popular Name: 2-Indanone 2-Indanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 615-13-4 , [615-13-4]
2-Indanone; 2H-Inden-2-one, 1,3-dihydro-; 615-13-4; C07727
| 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) | 1.28 | 5.45 | -4.32 | 0 | 1 | 0 | 17 | 132.162 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 218? dec. | Alfa-Aesar |
| Boiling_Point | 218° dec. | Alfa-Aesar |
| BP | 225 | TCI |
| Mp [°C] | 50 - 57 | Acros Organics |
| Melting_Point | 52-56? | Alfa-Aesar |
| Melting_Point | 52-56° | Alfa-Aesar |
| MP | 54 - 56 | Enamine Building Blocks |
| MP | 54...56 | Enamine Building Blocks |
| MP | 57 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96% | Fluorochem |
| Purity | 99%min | APIChem |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
