Cas no 34604-42-7 (Benzoic acid, 4-[(dipropylamino)sulfonyl]-2-hydroxy-)

Benzoic acid, 4-[(dipropylamino)sulfonyl]-2-hydroxy- structure
34604-42-7 structure
Product Name:Benzoic acid, 4-[(dipropylamino)sulfonyl]-2-hydroxy-
CAS No:34604-42-7
MF:C13H19NO5S
MW:301.358662843704
CID:1469292
PubChem ID:20071705
Update Time:2025-04-20

Benzoic acid, 4-[(dipropylamino)sulfonyl]-2-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[(dipropylamino)sulfonyl]-2-hydroxy-
    • 4-(dipropylsulfamoyl)-2-hydroxybenzoic acid
    • SCHEMBL9796305
    • DB-412021
    • DTXSID10602130
    • 34604-42-7
    • 4-[(Dipropylamino)sulfonyl]-2-hydroxybenzoic acid
    • Inchi: 1S/C13H19NO5S/c1-3-7-14(8-4-2)20(18,19)10-5-6-11(13(16)17)12(15)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,16,17)
    • InChI Key: FJRTZGPMJBKGCD-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C(=O)O)=C(C=1)O)(N(CCC)CCC)(=O)=O

Computed Properties

  • Exact Mass: 301.09847
  • Monoisotopic Mass: 301.09839388g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 7
  • Complexity: 411
  • 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: 2.9
  • Topological Polar Surface Area: 103?2

Experimental Properties

  • PSA: 94.91

Benzoic acid, 4-[(dipropylamino)sulfonyl]-2-hydroxy- Related Literature

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