Cas no 134439-96-6 (1H-Pyrrole-3-carboxylicacid, 1-(phenylsulfonyl)-)

1H-Pyrrole-3-carboxylicacid, 1-(phenylsulfonyl)- structure
134439-96-6 structure
Product Name:1H-Pyrrole-3-carboxylicacid, 1-(phenylsulfonyl)-
CAS No:134439-96-6
MF:C11H9NO4S
MW:251.258461713791
CID:105944
PubChem ID:15150595
Update Time:2025-04-18

1H-Pyrrole-3-carboxylicacid, 1-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-3-carboxylicacid, 1-(phenylsulfonyl)-
    • 1-(Phenylsulfonyl)-3-pyrrolecarboxylic acid
    • 1-(benzenesulfonyl)pyrrole-3-carboxylic acid
    • 1-(Phenylsulfonyl)-1H-pyrrole-3-carboxylic acid
    • Z3234898651
    • EN300-6764218
    • 1-(Phenylsulfonyl)-1H-pyrrole-3-carboxylicacid
    • 134439-96-6
    • SB63460
    • 1-(Benzenesulfonyl)-1H-pyrrole-3-carboxylic acid
    • TS-00787
    • AKOS015909300
    • DTXSID10569113
    • MDL： MFCD11977333
    • Inchi： 1S/C11H9NO4S/c13-11(14)9-6-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h1-8H,(H,13,14)
    • InChI Key： VQNLMKHSUAPNMD-UHFFFAOYSA-N
    • SMILES： S(C1C=CC=CC=1)(N1C=CC(C(=O)O)=C1)(=O)=O

Computed Properties

  • Exact Mass: 251.02522894g/mol
  • Monoisotopic Mass: 251.02522894g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 381
  • 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: 1.4
  • Topological Polar Surface Area: 84.8?2

1H-Pyrrole-3-carboxylicacid, 1-(phenylsulfonyl)- Pricemore >>

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