Chem
J-GLOBAL ID：200907050145062664   Nikkaji number：J25.884I

Isophthalic acid 1-methyl

イソフタル酸1-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： C9H8O4
Molecular formula furigana： C9-H8-O4
Molecular weight： 180.159
InChI： InChI=1S/C9H8O4/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChI key： WMZNGTSLFSJHMZ-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc(c1)C(=O)O
Systematic name  (5)：
  • イソフタル酸水素1-メチル
  • イソフタル酸1-メチル
  • 1,3-ベンゼンジカルボン酸1-メチル
  • 3-(メトキシカルボニル)安息香酸
  • 3-(methoxycarbonyl)benzoic acid
Other name (4)：
  • Isophthalic acid hydrogen 1-methyl ester
  • Isophthalic acid 1-methyl ester
  • Isophthalic acid 1-methyl
  • 1,3-Benzenedicarboxylic acid 1-methyl ester
CAS registry number： 1877-71-0
Regulation number (1)：
  • 4-(4)-104
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