Cas no 91062-23-6 (3-(4-methoxybenzenesulfonyl)propanoic acid)

3-(4-methoxybenzenesulfonyl)propanoic acid structure
91062-23-6 structure
Product Name:3-(4-methoxybenzenesulfonyl)propanoic acid
CAS No:91062-23-6
MF:C10H12O5S
MW:244.264282226563
MDL:MFCD03834542
CID:799168
PubChem ID:3238384
Update Time:2025-04-19

3-(4-methoxybenzenesulfonyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,3-[(4-methoxyphenyl)sulfonyl]-
    • 3-(4-Methoxy-benzenesulfonyl)-propionic acid
    • 3-[(4-METHOXYPHENYL)SULFONYL]PROPANOIC ACID
    • SR-01000147448
    • 3-(4-methoxybenzenesulfonyl)propanoic acid
    • BB 0219363
    • MLS000047622
    • EN300-22383
    • AKOS000118190
    • HMS1648F15
    • SMR000033633
    • F2109-0017
    • Z147642714
    • SCHEMBL5602804
    • A922416
    • SR-01000147448-1
    • DTXSID10390520
    • 3-(4-methoxyphenyl)sulfonylpropanoic acid
    • EU-0066713
    • HMS2302N09
    • 91062-23-6
    • CHEMBL1338172
    • 3-[(4-methoxyphenyl)sulfonyl]propanoic acid, AldrichCPR
    • MFCD03834542
    • 3-((4-methoxyphenyl)sulfonyl)propanoic acid
    • G30505
    • DB-378389
    • AS-871/43387331
    • 3-((4-methoxyphenyl)sulfonyl)propanoicacid
    • MDL: MFCD03834542
    • Inchi: 1S/C10H12O5S/c1-15-8-2-4-9(5-3-8)16(13,14)7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
    • InChI Key: JRUQWLFYNOXBSV-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)OC)(CCC(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 244.041
  • Monoisotopic Mass: 244.041
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 322
  • 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: 89?2

Experimental Properties

  • Density: 1.335
  • Boiling Point: 486.3°Cat760mmHg
  • Flash Point: 247.9°C
  • Refractive Index: 1.541

3-(4-methoxybenzenesulfonyl)propanoic acid Pricemore >>

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