Cas no 2305-53-5 (Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl-)

Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl- structure
2305-53-5 structure
Product Name:Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl-
CAS No:2305-53-5
MF:C26H22O9
MW:478.447488307953
CID:278630
PubChem ID:20357935
Update Time:2025-04-19

Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl-
    • Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2
    • C.I. 43870
    • C.I.Mordant Violet 33 (7CI,8CI)
    • Chromoxane Violet 5B (6CI)
    • 2305-53-5
    • 3-[(3-Carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethylbenzoic acid
    • SCHEMBL11577396
    • SCHEMBL11577399
    • DTXSID501101842
    • Inchi： 1S/C26H22O9/c1-10-7-18(27)20(26(34)35)13(4)19(10)21(14-5-11(2)22(28)16(8-14)24(30)31)15-6-12(3)23(29)17(9-15)25(32)33/h5-9,28-29H,1-4H3,(H,30,31)(H,32,33)(H,34,35)
    • InChI Key： WNJHUOIZPNNZMD-UHFFFAOYSA-N
    • SMILES： OC1C(C(=O)O)=CC(=CC=1C)/C(/C1C=C(C(=O)O)C(=C(C)C=1)O)=C1\C(C)=CC(C(C(=O)O)=C\1C)=O

Computed Properties

  • Exact Mass: 478.12636
  • Monoisotopic Mass: 478.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 5
  • Complexity: 989
  • 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
  • Topological Polar Surface Area: 169A^2
  • XLogP3: 4.9

Experimental Properties

  • PSA: 169.43

Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl- Related Literature

2305-53-5 (Benzoic acid,3-[(3-carboxy-4-hydroxy-5-methylphenyl)(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-6-hydroxy-2,4-dimethyl-) Related Products

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