Cas no 80721-35-3 (2,4-Pyridinedicarboxylic acid, 6-methyl-, dimethyl ester)

2,4-Pyridinedicarboxylic acid, 6-methyl-, dimethyl ester structure
80721-35-3 structure
Product Name:2,4-Pyridinedicarboxylic acid, 6-methyl-, dimethyl ester
CAS No:80721-35-3
MF:C10H11NO4
MW:209.198642969131
CID:705132
PubChem ID:71421131
Update Time:2025-04-19

2,4-Pyridinedicarboxylic acid, 6-methyl-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,4-Pyridinedicarboxylic acid, 6-methyl-, dimethyl ester
    • dimethyl 6-methylpyridine-2,4-dicarboxylate
    • SCHEMBL24092263
    • 80721-35-3
    • DTXSID70840298
    • Inchi: 1S/C10H11NO4/c1-6-4-7(9(12)14-2)5-8(11-6)10(13)15-3/h4-5H,1-3H3
    • InChI Key: UVGLQKCAFWWUPU-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C(=O)OC)N=C(C)C=1)=O

Computed Properties

  • Exact Mass: 209.06880783g/mol
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 254
  • 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: 1.3
  • Topological Polar Surface Area: 65.5?2
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