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

HCID 5274450

基本情報

標準SMILES
COC(=O)C1CCc2sccc2C1=O
InChIKey
IRXRNQUMRJNRMZ-UHFFFAOYSA-N
分子式
C10H10O3S
平均分子量
210.25 g/mol

名称と識別子

優先名称
Methyl 4-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-5-carboxylate
IUPAC
methyl 4-oxo-6,7-dihydro-5H-1-benzothiophene-5-carboxylate

名称と別名

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
名称をさらに表示
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

データベース識別子

PubChem CID
5274450

物性

構造計算による物性

XLogP
1.9
極性表面積
71.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
14

関連反応

5 件

化合物ノート

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