Cas no 364364-87-4 (1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-, monomethyl ester (9CI))

1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-, monomethyl ester (9CI) structure
364364-87-4 structure
Product Name:1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-, monomethyl ester (9CI)
CAS No:364364-87-4
MF:C9H8O6
MW:212.156223297119
CID:297251
PubChem ID:19068470
Update Time:2025-04-19

1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-, monomethyl ester (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylic acid, 2,3-dihydroxy-, monomethyl ester (9CI)
    • 2,3-dihydroxy methyl benzoate 4-carboxylic acid
    • MIKKYBSJWVRHHU-UHFFFAOYSA-N
    • SCHEMBL3181067
    • 364364-87-4
    • 2,3-dihydroxy-terephthalic acid monomethyl ester
    • 2,3-Dihydroxy-4-(methoxycarbonyl)benzoic acid
    • 1,4-Benzenedicarboxylic acid,2,3-dihydroxy-,monomethyl ester(9ci)
    • Inchi： 1S/C9H8O6/c1-15-9(14)5-3-2-4(8(12)13)6(10)7(5)11/h2-3,10-11H,1H3,(H,12,13)
    • InChI Key： MIKKYBSJWVRHHU-UHFFFAOYSA-N
    • SMILES： OC1C(=C(C(=O)O)C=CC=1C(=O)OC)O

Computed Properties

  • Exact Mass: 212.03208797g/mol
  • Monoisotopic Mass: 212.03208797g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 263
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 104?2

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