Chem
J-GLOBAL ID：200907087615670772
Nikkaji number：J2.764.895I
Benzoylacetate
ベンゾイルアセタート
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： C9H7O2[O-]
Molecular formula furigana： C9-H7-O3
Molecular weight： 163.153
InChI：
InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1
InChI key：
HXUIDZOMTRMIOE-UHFFFAOYSA-M
SMILES：
[O-]C(=O)CC(=O)c1ccccc1
Systematic name (3)：
- ベンゾイルアセタート
- 3-オキソ-3-フェニルプロパノアート
- 3-oxo-3-phenylpropanoate
- Benzoylacetate
KEGG COMPOUND：
C07114
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