| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2006 | 7 | Yes |
Popular Name: tetrahydro-4H-pyran-4-one tetrahydro-4H-pyran-4-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 143562-54-3 , 2825-82-3 , 29943-42-8 , [2825-82-3]
"Tetrahydro-4H-pyran-4-one, 98%"
(3aalpha,4beta,7beta,7aalpha)-Octahydro-4,7-methano-1H-indene
(3aR,4S,7R,7aS)-rel-Octahydro-4,7-methano-1H-indene
4-Oxotetrahydropyran(Tetrahydropyran-4-one)
4H-Pyran-4-one,tetrahydro-, radical ion(2-) (9CI)
Tetrahydro-4H-pyran-4-one, 98%
Tetrahydro-4H-pyran-4-one, 99%
| 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) | -0.13 | 1.54 | -5.05 | 0 | 2 | 0 | 26 | 100.117 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 107 - 108 | Enamine Building Blocks |
| MP | 107...108 | Enamine Building Blocks |
| Boiling_Point | 165-167? | Alfa-Aesar |
| Boiling_Point | 165-167° | Alfa-Aesar |
| BP [°C] | 166 | Acros Organics |
| BP | 166-166.5° | Oakwood Chemical |
| BP | 69 / 18 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
