Cas no 478-05-7 (Benzoic acid,2,3-diformyl-6-methoxy-5-methyl-)

Benzoic acid,2,3-diformyl-6-methoxy-5-methyl- structure
478-05-7 structure
Product Name:Benzoic acid,2,3-diformyl-6-methoxy-5-methyl-
CAS No:478-05-7
MF:C11H10O5
MW:222.194103717804
CID:330939
PubChem ID:96916
Update Time:2025-04-19

Benzoic acid,2,3-diformyl-6-methoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2,3-diformyl-6-methoxy-5-methyl-
    • 2,3-diformyl-6-methoxy-5-methylbenzoic acid
    • 2,3-Diformyl-6-methoxy-5-methyl-benzoesaeure
    • 2,3-diformyl-6-methoxy-5-methyl-benzoic acid
    • AC1L3XHX
    • AC1Q5TEP
    • AR-1D2488
    • Gladiolic acid
    • Gladiolsaeure
    • Isogladiolic acid
    • NSC93470
    • NSC-93470
    • Benzoic acid, 2,3-diformyl-6-methoxy-5-methyl-
    • UNII-25R76754PG
    • SCHEMBL11061567
    • o-Anisic acid, 5,6-diformyl-3-methyl-
    • o-Anisic acid,6-diformyl-3-methyl-
    • 478-05-7
    • 4-Methoxy-5-methyl-o-phthalaldehyde-3-carboxylic acid
    • DTXSID90197276
    • Benzoic acid,3-diformyl-6-methoxy-5-methyl-
    • GLADIOLIC ACID [MI]
    • Benzoic acid, 2,3-diformyl-6-methoxy-5-methyl
    • Q27253992
    • NSC 93470
    • 25R76754PG
    • Inchi： 1S/C11H10O5/c1-6-3-7(4-12)8(5-13)9(11(14)15)10(6)16-2/h3-5H,1-2H3,(H,14,15)
    • InChI Key： XQPWNPFGKKJSPW-UHFFFAOYSA-N
    • SMILES： O(C)C1C(C(=O)O)=C(C=O)C(C=O)=CC=1C

Computed Properties

  • Exact Mass: 222.0528
  • Monoisotopic Mass: 222.052823
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 288
  • 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: 80.7
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.341
  • Melting Point: 160°
  • Boiling Point: 443.3°Cat760mmHg
  • Flash Point: 177.4°C
  • Refractive Index: 1.62
  • PSA: 80.67
  • LogP: 1.32680
  • pka: 4.4(at 25℃)

Benzoic acid,2,3-diformyl-6-methoxy-5-methyl- Related Literature

  • 1. 644. Infra-red spectroscopy and structural chemistry. Part III. Gladiolic acid
    John Frederick Grove J. Chem. Soc. 1952 3345
  • 2. 733. Gladiolic acid. Part III. The structures of norisogladiolic acid, dihydrogladiolic acid, and cyclopolic acid
    L. A. Duncanson,John Frederick Grove,J. Zealley J. Chem. Soc. 1953 3637
  • 3. Phthalaldehydes and related compounds. Part IV. Synthesis of gladiolic acid
    J. J. Brown,G. T. Newbold J. Chem. Soc. 1954 1076
  • 4. Gladiolic acid. Part V. Syntheses of some methoxybenzenetricarboxylic acids
    D. Gardner,John Frederick Grove,Doreen Ismay J. Chem. Soc. 1954 1817
  • 5. 735. Phthalaldehydes and related compounds. Part III. Synthesis of deoxygladiolic acid and experiments relating to the structure of dihydrogladiolic acid
    J. J. Brown,G. T. Newbold J. Chem. Soc. 1953 3648

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