Chem
J-GLOBAL ID：200907064852319842
Nikkaji number：J2.067.358C
4-(1,3-Benzodioxole-5-yl)-2-hexanone
4-(1,3-ベンゾジオキソール-5-イル)-2-ヘキサノン
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： C13H16O3
Molecular formula furigana： C13-H16-O3
Molecular weight： 220.268
InChI：
InChI=1S/C13H16O3/c1-3-10(6-9(2)14)11-4-5-12-13(7-11)16-8-15-12/h4-5,7,10H,3,6,8H2,1-2H3
InChI key：
KBPVRTQKDPRGAV-UHFFFAOYSA-N
SMILES：
CCC(CC(=O)C)c1ccc2OCOc2c1
Systematic name (3)：
- 4-(1,3-ベンゾジオキソール-5-イル)-2-ヘキサノン
- 4-(2H-1,3-ベンゾジオキソール-5-イル)ヘキサン-2-オン
- 4-(2H-1,3-benzodioxol-5-yl)hexan-2-one
- 4-(1,3-Benzodioxole-5-yl)-2-hexanone
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