Cas no 622-54-8 (p-hydroxyphenylpyruvate)

p-hydroxyphenylpyruvate structure
p-hydroxyphenylpyruvate structure
Product Name:p-hydroxyphenylpyruvate
CAS No:622-54-8
MF:C9H7O4
MW:179.149482965469
CID:1015949
PubChem ID:6971070
Update Time:2025-04-20

p-hydroxyphenylpyruvate Chemical and Physical Properties

Names and Identifiers

    • p-hydroxyphenylpyruvate
    • (4-hydroxyphenyl)pyruvate
    • Q27104348
    • hydroxyphenylpyruvate
    • 3-(p-Hydroxyphenyl)pyruvate
    • 3-(4-hydroxyphenyl)-2-oxopropanoate
    • CHEBI:36242
    • DTXSID001238038
    • 3-(4-Hydroxyphenyl)pyruvate
    • Benzenepropanoic acid, 4-hydroxy-I+/--oxo-, ion(1-)
    • BDBM50269993
    • 622-54-8
    • Inchi： 1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1
    • InChI Key： KKADPXVIOXHVKN-UHFFFAOYSA-M
    • SMILES： OC1C=CC(=CC=1)CC(C(=O)[O-])=O

Computed Properties

  • Exact Mass: 179.03443370g/mol
  • Monoisotopic Mass: 179.03443370g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 198
  • 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: 1.3
  • Topological Polar Surface Area: 77.4?2

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