Chem
J-GLOBAL ID：200907036787594578
Nikkaji number：J1.373.579D
2-(3-Methylbenzyl)-5-acetylfuran-3-carboxylic acid
2-(3-メチルベンジル)-5-アセチルフラン-3-カルボン酸
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： C15H14O4
Molecular formula furigana： C15-H14-O4
Molecular weight： 258.273
InChI：
InChI=1S/C15H14O4/c1-9-4-3-5-11(6-9)7-14-12(15(17)18)8-13(19-14)10(2)16/h3-6,8H,7H2,1-2H3,(H,17,18)
InChI key：
VQNFKEAEUSAGPZ-UHFFFAOYSA-N
SMILES：
CC(=O)c1cc(C(=O)O)c(Cc2cccc(C)c2)o1
Systematic name (3)：
- 2-(3-メチルベンジル)-5-アセチルフラン-3-カルボン酸
- 5-アセチル-2-[(3-メチルフェニル)メチル]フラン-3-カルボン酸
- 5-acetyl-2-[(3-methylphenyl)methyl]furan-3-carboxylic acid
- 2-(3-Methylbenzyl)-5-acetylfuran-3-carboxylic acid
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