Chem
J-GLOBAL ID：200907036171501649
Nikkaji number：J2.458.072E
3-(1,3-Benzodioxole-5-ylmethyl)pentane-2,4-dione
3-(1,3-ベンゾジオキソール-5-イルメチル)ペンタン-2,4-ジオン
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： C13H14O4
Molecular formula furigana： C13-H14-O4
Molecular weight： 234.251
InChI：
InChI=1S/C13H14O4/c1-8(14)11(9(2)15)5-10-3-4-12-13(6-10)17-7-16-12/h3-4,6,11H,5,7H2,1-2H3
InChI key：
NXLJHBLLNKYHHK-UHFFFAOYSA-N
SMILES：
CC(=O)C(Cc1ccc2OCOc2c1)C(=O)C
Systematic name (3)：
- 3-(1,3-ベンゾジオキソール-5-イルメチル)ペンタン-2,4-ジオン
- 3-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]ペンタン-2,4-ジオン
- 3-[(2H-1,3-benzodioxol-5-yl)methyl]pentane-2,4-dione
- 3-(1,3-Benzodioxole-5-ylmethyl)pentane-2,4-dione
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