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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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Acetic Acid
Acetic_acid synonyms
Methanecarboxylic acid; Kyselina octova [Czech]; Vinegar acid; Acetic acid [JAN]; Acetasol; Pyroligneous acid; Acetic acid, water solutions; Glacial acetic acid; Acetic acid (natural); Essigsaeure [German]; Otic Tridesilon
Graphical representations:
View large 3D structure
Molecular Formula: C2H4O2
Natural Isotopic Abundance Mass: 60.0519600000
Mono-Isotopic Molecular Masses:
- C12N14: 60.0211293726
- C13N14: 62.0278390482
- C12N15: 60.0211293726
- C13N15: 62.0278390482
InChI string: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
IUPAC: acetic acid
PubChem Compound (CID): 176KEGG Compound ID: C00033
CAS Registry number: 64-19-7 77671-22-8
ChEBI: 30089
NSC: 132953
Beilstein Handbook Reference: 4-02-00-00094
CCRIS: 5952
FEMA No.: 2006
EINECS: 200-580-7
FEMA Number: 2006
HSDB: 40
PDB Compound ID: ACT ACY
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)