Benzoate
Benzoate synonyms
Kyselina benzoova [Czech]; Benzenemethanoic acid; BENZOIC ACID; Benzoesaeure [German]; Solvo powder; Flowers of benjamin; Benzoic acid [USAN:JAN]; Acide benzoique [French]; NSC 149; E 210; Benzoic acid (natural)
Graphical representations:
View large 3D structure
Molecular Formula: C7H6O2
Natural Isotopic Abundance Mass: 122.1213400000
Mono-Isotopic Molecular Masses:
- C12N14: 122.036779437
- C13N14: 129.060263301
- C12N15: 122.036779437
- C13N15: 129.060263301
InChI string: InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H
IUPAC: benzoic acid
PubChem Compound (CID): 243KEGG Compound ID: C00180
ChemIDplus: 000065850
CAS Registry number: 8013-63-6 65-85-0
EINECS: 200-618-2
Caswell No.: 081
CCRIS: 1893
EPA Pesticide Chemical Code: 009101
HSDB: 704
FEMA No.: 2131
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)