Cas no 866156-09-4 (2-ethoxy-5-(4-morpholinylsulfonyl)benzoic Acid)

2-ethoxy-5-(4-morpholinylsulfonyl)benzoic Acid structure
866156-09-4 structure
Product Name:2-ethoxy-5-(4-morpholinylsulfonyl)benzoic Acid
CAS No:866156-09-4
MF:C13H17NO6S
MW:315.34218287468
CID:1854270
PubChem ID:3793857
Update Time:2025-04-21

2-ethoxy-5-(4-morpholinylsulfonyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-ethoxy-5-(4-morpholinylsulfonyl)benzoic Acid
    • 2-ethoxy-5-(morpholine-4-sulfonyl)benzoicacid
    • 2-ethoxy-5-(morpholinosulfonyl)benzenecarboxylic acid
    • 866156-09-4
    • 2-ethoxy-5-(morpholine-4-sulfonyl)benzoic acid
    • MS-2185
    • 2-ethoxy-5-morpholin-4-ylsulfonylbenzoic acid
    • SR-01000309954-1
    • AKOS005107991
    • SR-01000309954
    • Inchi: 1S/C13H17NO6S/c1-2-20-12-4-3-10(9-11(12)13(15)16)21(17,18)14-5-7-19-8-6-14/h3-4,9H,2,5-8H2,1H3,(H,15,16)
    • InChI Key: UEJCLSLQYRTJEB-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=C(C(=O)O)C=1)OCC)(N1CCOCC1)(=O)=O

Computed Properties

  • Exact Mass: 315.07765844Da
  • Monoisotopic Mass: 315.07765844Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 454
  • 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: 0.6
  • Topological Polar Surface Area: 102?2

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