HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate
Methyl 4-hydroxybenzo thiophene-5-carboxylate · Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate · methyl 4-hydroxy-1-benzothiophene-5-carboxylate · Methyl 4-Hydroxybenzo[B]Thiophene-5-Carboxylate(WXC02071) · 4-hydroxy-Benzo[b]thiophene-5-carboxylic acid methyl ester · Benzo[b]thiophene-5-carboxylic acid, 4-hydroxy-, methyl ester
![Molekülstruktur von Methyl 4-hydroxybenzo[b]thiophene-5-carboxylate](/img/chemical/22397191.png)
Identifikatoren & physikalische Daten
| CAS No. | 246177-37-7 |
|---|---|
| Summenformel | C10H8O3S |
| Durchschnittliche Molmasse | 208,24 g/mol |
| Monoisotopische Masse | 208,01941529 g/mol |
| SMILES | COC(=O)c1ccc2sccc2c1O |
| InChIKey | RAWQGMFTJYIMMQ-UHFFFAOYSA-N |
| PubChem CID | 22397191 |
| DTXSID | DTXSID60625450 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 231 |
| Schmelzpunkt | 98-99 °C |
| Siedepunkt | 332.3±22.0 °C(Predicted) |
| Dichte | 1.394±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 7.44±0.50(Predicted) |