Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate

HCID 5274450

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

Zugehörige Reaktionen

5

Notizen zur Verbindung

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