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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Propionic Acid
Propionic_acid synonyms
Tenox P grain preservative; Propanoic acid; Propionic acid (natural); Kyselina propionova [Czech]; Acide propionique [French]; PROPIONIC ACID; Prozoin; Carboxyethane; Propionate; C3 acid; Propionoic acid
Graphical representations:
View large 3D structure
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): 1032KEGG 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, https://www.nature.com/articles/sdata201773)