| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: Ethyl coumarin-3-carboxylate Ethyl coumarin-3-carboxylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1846-76-0 , [1846-76-0]
Coumarin-3-carboxylic acid ethyl ester
ethyl 2-oxo-2H-chromene-3-carboxylate
Ethyl 3-coumarincarboxylate, 97%
Ethyl coumarin-3-carboxylate 98%
Ethyl coumarin-3-carboxylate, 98%
Ethylcoumarin-3-Carboxylate [1846-76-0]; (Coumarin-3-carboxylic acid ethyl ester)
Ethylcoumarin-3-carboxylate, 98% [1846-76-0]; (Coumarin-3-carboxylic acid ethyl ester)
| 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) | 2.15 | 7.96 | -17.96 | 0 | 4 | 0 | 57 | 218.208 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 90 - 95 | Acros Organics |
| MP | 92-94° | Matrix Scientific |
| Melting_Point | 92-95? | Alfa-Aesar |
| Melting_Point | 92-95° | Alfa-Aesar |
| M.P | 93-95 C | Indofine |
| MP | 93-95o C | Indofine |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
