| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 1st, 2008 | 11 | Yes |
Popular Name: 4-Chromanone 4-Chromanone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1341-36-2 , 491-37-2 , 491-38-3 , [491-37-2]
2,3-Dihydro-4H-1-benzopyran-4-one
4-Chromanone; 4H-1-Benzopyran-4-one, 2,3-dihydro-; Chroman-4-one; EINECS 207-736-3; LS-39537
| 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) | 1.60 | 4.24 | -6.88 | 0 | 2 | 0 | 26 | 148.161 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 127 - 128 (p=13 torr) | Acros Organics |
| Boiling_Point | 127-128?/13mm | Alfa-Aesar |
| Boiling_Point | 127-128°/13mm | Alfa-Aesar |
| BP | 128 / 13 | TCI |
| Mp [°C] | 34 - 40 | Acros Organics |
| Melting_Point | 36-40? | Alfa-Aesar |
| Melting_Point | 36-40° | Alfa-Aesar |
| M.P. | 38-40 C | Indofine |
| MP | 38-40o C | Indofine |
| Purity | 95% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| APPEARANCE | Cream crystalline low melting solid | Indofine |
| PUBCHEM_PATENT_ID | EP0821677A1; EP0836384A1; WO1996033180A1; WO1997000612A1; WO2000064876A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| SOLUBILITY | Soluble in Chloroform | Indofine |
