Chem
J-GLOBAL ID：200907061948110767   Nikkaji number：J1.125.710K

2,3-Anhydroquinic acid

2,3-アンヒドロキナ酸
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： C7H10O5
Molecular formula furigana： C7-H10-O5
Molecular weight： 174.152
InChI： InChI=1S/C7H10O5/c8-4-1-2-7(12,6(10)11)3-5(4)9/h1-2,4-5,8-9,12H,3H2,(H,10,11)/t4-,5-,7+/m1/s1
InChI key： VTEDVYGIJPLVFF-XAHCXIQSSA-N
SMILES： O[C@@H]1C[C@@](O)(C=C[C@H]1O)C(=O)O
Systematic name  (4)：
  • 1,4β,5α-トリヒドロキシ-2-シクロヘキセン-1α-カルボン酸
  • 1α,3β,4α-トリヒドロキシ-5-シクロヘキセン-1-カルボン酸
  • (1R,4R,5R)-1,4,5-トリヒドロキシシクロヘキサ-2-エン-1-カルボン酸
  • (1R,4R,5R)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid
Other name (4)：
  • 1,4β,5α-Trihydroxy-2-cyclohexene-1α-carboxylic acid
  • 2,3-アンヒドロキナ酸
  • 2,3-Anhydroquinic acid
  • 1α,3β,4α-Trihydroxy-5-cyclohexene-1-carboxylic acid
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