Chem
J-GLOBAL ID：200907029335333541
Nikkaji number：J1.058.014E
6-Acetyl-4-hydroxy-3-oxo-2-oxabicyclo[2.2.2]octa-7-ene
7-アセチル-4-ヒドロキシ-2-オキサビシクロ[2.2.2]オクタ-5-エン-3-オン
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
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
Molecular formula： C9H10O4
Molecular formula furigana： C9-H10-O4
Molecular weight： 182.175
InChI：
InChI=1S/C9H10O4/c1-5(10)6-4-9(12)3-2-7(6)13-8(9)11/h2-3,6-7,12H,4H2,1H3
InChI key：
YTNIBBXTDMXQDS-UHFFFAOYSA-N
SMILES：
CC(=O)C1CC2(O)C=CC1OC2=O
Systematic name (3)：
- 6-アセチル-4-ヒドロキシ-3-オキソ-2-オキサビシクロ[2.2.2]オクタ-7-エン
- 7-アセチル-4-ヒドロキシ-2-オキサビシクロ[2.2.2]オクタ-5-エン-3-オン
- 7-acetyl-4-hydroxy-2-oxabicyclo[2.2.2]oct-5-en-3-one
- 6-Acetyl-4-hydroxy-3-oxo-2-oxabicyclo[2.2.2]octa-7-ene
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