Cas no 51522-22-6 (4-Methyl-3-(methylsulfonyl)benzoic acid)

4-Methyl-3-(methylsulfonyl)benzoic acid structure
51522-22-6 structure
Product Name:4-Methyl-3-(methylsulfonyl)benzoic acid
CAS No:51522-22-6
MF:C9H10O4S
MW:214.238301753998
MDL:MFCD10032483
CID:1056182
PubChem ID:22597859
Update Time:2025-04-20

4-Methyl-3-(methylsulfonyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-3-(methylsulfonyl)benzoic acid
    • A871252
    • DB-014541
    • BS-28909
    • 51522-22-6
    • AKOS009307581
    • SY006337
    • SCHEMBL6293695
    • AC6278
    • 4-Methyl-3-(methylsulfonyl)benzoicAcid
    • MFCD10032483
    • 3-methylsulfonyl-4-methylbenzoic acid
    • 3-methanesulfonyl-4-methylbenzoic acid
    • CS-0279661
    • EN300-43914
    • Z381375560
    • BCA52222
    • IYIOTRUPYRIVLP-UHFFFAOYSA-N
    • XH0735
    • MDL: MFCD10032483
    • Inchi: 1S/C9H10O4S/c1-6-3-4-7(9(10)11)5-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11)
    • InChI Key: IYIOTRUPYRIVLP-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=C(C(=O)O)C=CC=1C)(=O)=O

Computed Properties

  • Exact Mass: 214.02997997g/mol
  • Monoisotopic Mass: 214.02997997g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 314
  • 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: 1.1
  • Topological Polar Surface Area: 79.8?2

4-Methyl-3-(methylsulfonyl)benzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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