Cas no 30553-06-1 (Benzoic acid, sulfo-)

Benzoic acid, sulfo- structure
Benzoic acid, sulfo- structure
Product Name:Benzoic acid, sulfo-
CAS No:30553-06-1
MF:C7H6O5S
MW:202.184541225433
CID:316684
PubChem ID:12438
Update Time:2025-04-19

Benzoic acid, sulfo- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, sulfo-
    • Carboxybenzenesulfonic acid
    • CBSA
    • Sulfobenzoic acid
    • NS00035390
    • W-104924
    • FT-0613415
    • EN300-27433
    • DTXSID6060894
    • UNII-O9W37198EZ
    • MFCD00007479
    • 2-Sulphobenzoic acid
    • 2-Sulfobenzoicacid
    • EINECS 211-176-5
    • Benzoic acid, 2-sulfo-
    • O9W37198EZ
    • 2-Sulfobenzoic acid #
    • Benzoic acid, o-sulfo- (6CI,7CI,8CI); 2-Sulfobenzoic acid; 2-Carboxybenzenesulfonic acid; o-Carboxybenzenesulfonic acid; o-Sulfobenzoic acid
    • SulfobenzoesA currencyure
    • BENZOIC ACID, O-SULFO-
    • Q27285527
    • sulphobenzoic acid
    • 2-Sulfobenzoic acid
    • PS-8185
    • o-Sulfobenzoic acid
    • A834285
    • AKOS000121149
    • 632-25-7
    • 30553-06-1
    • O-CARBOXYBENZENESULFONIC ACID
    • 2-sulfo-benzoic acid
    • SCHEMBL118459
    • 2-carboxybenzenesulfonic acid
    • Inchi: 1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
    • InChI Key: ZMPRRFPMMJQXPP-UHFFFAOYSA-N
    • SMILES: S(C1C=CC=CC=1C(=O)O)(=O)(=O)O

Computed Properties

  • Exact Mass: 201.99358
  • Monoisotopic Mass: 201.993594
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 289
  • 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
  • Topological Polar Surface Area: 100
  • XLogP3: 0.2

Experimental Properties

  • Density: 1.62
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 91.67
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