Chem
J-GLOBAL ID：200907028750894730   Nikkaji number：J15.070C

2,5-Dioxobenzoic acid methyl ester

2,5-ジオキソ安息香酸メチル
Substance type：
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
Molecular formula： C8H6O4
Molecular formula furigana： C8-H6-O4
Molecular weight： 166.132
InChI： InChI=1S/C8H6O4/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI key： LSFYMYHEOPWITI-UHFFFAOYSA-N
SMILES： COC(=O)C1=CC(=O)C=CC1=O
Systematic name  (5)：
  • 2-(メトキシカルボニル)-1,4-ベンゾキノン
  • 3,6-ジオキソ-1,4-シクロヘキサジエン-1-カルボン酸メチル
  • 2,5-ジオキソ安息香酸メチル
  • メチル 3,6-ジオキソシクロヘキサ-1,4-ジエン-1-カルボキシラート
  • methyl 3,6-dioxocyclohexa-1,4-diene-1-carboxylate
Other name (2)：
  • 3,6-Dioxo-1,4-cyclohexadiene-1-carboxylic acid methyl ester
  • 2,5-Dioxobenzoic acid methyl ester
CAS registry number： 3958-79-0
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