Biological Magnetic Resonance Data Bank

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

Propionic Acid

Graphical representations:


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Molecular Formula: C3H6O2

Natural Isotopic Abundance Mass: 74.0785400000

Mono-Isotopic Molecular Masses:

  • C12N14: 74.0367794368
  • C13N14: 77.0468439502
  • C12N15: 74.0367794368
  • C13N15: 77.0468439502

InChI string: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

IUPAC: propanoic acid

PubChem Compound (CID): 1032
KEGG Compound ID: C00163
CAS Registry number: 557-28-8 79-09-4
ChEBI: 30768
FEMA No.: 2924
FEMA Number: 2924
Beilstein Handbook Reference: 4-02-00-00695
HSDB: 1192
EINECS: 201-176-3
CCRIS: 6096
PDB Compound ID: PPI

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,