In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2005 | 6 | Yes |
Popular Name: 2-Oxazolidone 2-Oxazolidone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 497-25-6 , N/A , [497-25-6]
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) | -0.19 | -1.57 | -10.3 | 1 | 3 | 0 | 38 | 87.078 | 0 | ↓ |
Lo Low (pH 4.5-6) | -0.56 | -3.53 | -30.48 | 2 | 3 | 1 | 43 | 88.086 | 0 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP | 200 / 21 | TCI |
BP [°C] | 220 (p=48 torr) | Acros Organics |
Boiling_Point | 220?/48mm | Alfa-Aesar |
Boiling_Point | 220°/48mm | Alfa-Aesar |
Melting_Point | 84-89? | Alfa-Aesar |
Melting_Point | 84-89° | Alfa-Aesar |
Mp [°C] | 86 - 89 | Acros Organics |
MP | 86...89 | Enamine Building Blocks |
MP | 89 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
PUBCHEM_PATENT_ID | EP0405787A3; EP0413464A3; EP0413465A3; US5081091 | IBM Patent Data |
H phrase | H351: Suspected of causing cancer | Acros Organics |
P phrase | P281: Use personal protective equipment as required | Acros Organics |
R phrase | R40: Limited evidence of a carcinogenic effect. | Acros Organics |
S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.