Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-(4-Hydroxyphenyl)propionic Acid

3-(4-Hydroxyphenyl)propionic Acid synonyms


Graphical representations:


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Molecular Formula: C9H10O3

Natural Isotopic Abundance Mass: 166.1739

Mono-Isotopic Molecular Masses:

  • C12N14: 166.06299418
  • C13N14: 175.093187722
  • C12N15: 166.06299418
  • C13N15: 175.093187722

InChI string: InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)

IUPAC: 3-(4-Hydroxyphenyl)propanoic acid

BMRB Ligand Expo: HPP
PubChem Compound (CID): 10394

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,