Chem
J-GLOBAL ID：200907026711624111
Nikkaji number：J2.007.290C
4-Methyl-1,3-benzodioxole-5-carboxylic acid
4-メチル-1,3-ベンゾジオキソール-5-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： C9H8O4
Molecular formula furigana： C9-H8-O4
Molecular weight： 180.159
InChI：
InChI=1S/C9H8O4/c1-5-6(9(10)11)2-3-7-8(5)13-4-12-7/h2-3H,4H2,1H3,(H,10,11)
InChI key：
UOVBAZLLBRLOTA-UHFFFAOYSA-N
SMILES：
Cc1c2OCOc2ccc1C(=O)O
Systematic name (3)：
- 4-メチル-1,3-ベンゾジオキソール-5-カルボン酸
- 4-メチル-2H-1,3-ベンゾジオキソール-5-カルボン酸
- 4-methyl-2H-1,3-benzodioxole-5-carboxylic acid
- 4-Methyl-1,3-benzodioxole-5-carboxylic acid
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