Chem
J-GLOBAL ID：200907060565513799   Nikkaji number：J1.703.245C

2-Acetyl-2,3,5,6-tetrahydrobenzofuran-3a(4H)-carboxylic acid methyl ester

2-アセチル-2,3,5,6-テトラヒドロベンゾフラン-3a(4H)-カルボン酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H16O4
Molecular formula furigana： C12-H16-O4
Molecular weight： 224.256
InChI： InChI=1S/C12H16O4/c1-8(13)9-7-12(11(14)15-2)6-4-3-5-10(12)16-9/h5,9H,3-4,6-7H2,1-2H3
InChI key： JDQCQAZZGRKQLT-UHFFFAOYSA-N
SMILES： COC(=O)C12CC(OC1=CCCC2)C(=O)C
Systematic name  (3)：
  • 2-アセチル-2,3,5,6-テトラヒドロベンゾフラン-3a(4H)-カルボン酸メチル
  • メチル 2-アセチル-2,3,3a,4,5,6-ヘキサヒドロ-1-ベンゾフラン-3a-カルボキシラート
  • methyl 2-acetyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-3a-carboxylate
Other name (1)：
  • 2-Acetyl-2,3,5,6-tetrahydrobenzofuran-3a(4H)-carboxylic acid methyl ester
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