Chem
J-GLOBAL ID：200907016699818244   Nikkaji number：J208.830D

4-Carboxyheptanedioic acid

4-カルボキシヘプタン二酸
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： C8H12O6
Molecular formula furigana： C8-H12-O6
Molecular weight： 204.178
InChI： InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
InChI key： ROTJZTYLACIJIG-UHFFFAOYSA-N
SMILES： OC(=O)CCC(CCC(=O)O)C(=O)O
Systematic name  (5)：
  • 1,3,5-ペンタントリカルボン酸
  • 4-カルボキシヘプタン二酸
  • 4-カルボキシ-ピメリン酸
  • ペンタン-1,3,5-トリカルボン酸
  • pentane-1,3,5-tricarboxylic acid
Other name (3)：
  • 1,3,5-Pentanetricarboxylic acid
  • 4-Carboxyheptanedioic acid
  • 4-Carboxy-pimelic acid
CAS registry number： 6940-58-5
Regulation number (1)：
  • EINECS2300872
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