Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
Grundinformationen
- Standard-SMILES
COC(=O)C1CCc2sccc2C1=O- InChIKey
IRXRNQUMRJNRMZ-UHFFFAOYSA-N- Summenformel
- C10H10O3S
- Durchschnittliche Molmasse
- 210,25 g/mol
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
- IUPAC
- methyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylate
Namen und Synonyme
112101-60-7Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylatemethyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylateMFCD00137807Methyl 4-oxo-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylatemethyl 4-oxo-6,7-dihydro-5H-benzothiophene-5-carboxylateSCHEMBL6287208IRXRNQUMRJNRMZ-UHFFFAOYSA-NAKOS018236923AS-70662DB-184243CS-0036869
Weitere Namen anzeigen
W11412methyl 4-oxo4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylateMethyl4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate4,5,6,7-Tetrahydro-4-oxobenzo[b]thiophene-5-carboxylic acid methyl esterBenzo[b]thiophene-5-carboxylic acid, 4,5,6,7-tetrahydro-4-oxo-, methyl ester
Datenbank-Bezeichner
- PubChem CID
- 5274450
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 71,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 264
Zugehörige Reaktionen
5
Notizen zur Verbindung
Wird geladen…