Cas no 62073-60-3 (1,2-Benzenedicarboxylic acid, 4-[[(3-ethoxypropyl)amino]sulfonyl]-)

1,2-Benzenedicarboxylic acid, 4-[[(3-ethoxypropyl)amino]sulfonyl]- structure
62073-60-3 structure
Product Name:1,2-Benzenedicarboxylic acid, 4-[[(3-ethoxypropyl)amino]sulfonyl]-
CAS No:62073-60-3
MF:C13H17NO7S
MW:331.341583013535
CID:459002
PubChem ID:71390228
Update Time:2025-04-19

1,2-Benzenedicarboxylic acid, 4-[[(3-ethoxypropyl)amino]sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenedicarboxylic acid, 4-[[(3-ethoxypropyl)amino]sulfonyl]-
    • 4-(3-ethoxypropylsulfamoyl)phthalic acid
    • DTXSID40812149
    • 62073-60-3
    • 4-[(3-ETHOXYPROPYL)SULFAMOYL]BENZENE-1,2-DICARBOXYLIC ACID
    • Inchi: 1S/C13H17NO7S/c1-2-21-7-3-6-14-22(19,20)9-4-5-10(12(15)16)11(8-9)13(17)18/h4-5,8,14H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
    • InChI Key: DQEGVYZLHCBJPW-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)O)=C(C(=O)O)C=1)(NCCCOCC)(=O)=O

Computed Properties

  • Exact Mass: 331.07261
  • Monoisotopic Mass: 331.07257305g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 9
  • Complexity: 485
  • 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: 0.5
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 130
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