Chem
J-GLOBAL ID:200907058383658711   Nikkaji number:J1.645.806F

5-Ethynylisophthalic acid dimethyl ester

5-エチニルイソフタル酸ジメチル
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: C12H10O4
Molecular formula furigana: C12-H10-O4
Molecular weight: 218.208
InChI: InChI=1S/C12H10O4/c1-4-8-5-9(11(13)15-2)7-10(6-8)12(14)16-3/h1,5-7H,2-3H3
InChI key: RSSODPUFUQKWIK-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(cc(c1)C(=O)OC)C#C
Systematic name  (3):
  • 5-エチニルイソフタル酸ジメチル
  • 1,3-ジメチル 5-エチニルベンゼン-1,3-ジカルボキシラート
  • 1,3-dimethyl 5-ethynylbenzene-1,3-dicarboxylate
Other name (1):
  • 5-Ethynylisophthalic acid dimethyl ester
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