Cas no 55974-85-1 (3-(4-Oxo-1,4-dihydrocinnolin-3-yl)propanoic acid)

3-(4-Oxo-1,4-dihydrocinnolin-3-yl)propanoic acid structure
55974-85-1 structure
Product Name:3-(4-Oxo-1,4-dihydrocinnolin-3-yl)propanoic acid
CAS No:55974-85-1
MF:C11H10N2O3
MW:218.20870256424
CID:6785391
PubChem ID:12307277
Update Time:2024-05-09

3-(4-Oxo-1,4-dihydrocinnolin-3-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-Oxo-1,4-dihydrocinnolin-3-yl)propanoic acid
    • SCHEMBL11806745
    • 3-(4-oxo-1H-cinnolin-3-yl)propanoic acid
    • F88981
    • 55974-85-1
    • Inchi: 1S/C11H10N2O3/c14-10(15)6-5-9-11(16)7-3-1-2-4-8(7)12-13-9/h1-4H,5-6H2,(H,12,16)(H,14,15)
    • InChI Key: KPVGDFXSDWRFRW-UHFFFAOYSA-N
    • SMILES: O=C1C2C=CC=CC=2NN=C1CCC(=O)O

Computed Properties

  • Exact Mass: 218.06914219g/mol
  • Monoisotopic Mass: 218.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 338
  • 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: 0.7
  • Topological Polar Surface Area: 78.8?2

3-(4-Oxo-1,4-dihydrocinnolin-3-yl)propanoic acid Pricemore >>

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