Vanillic Acid
Vanillic_acid synonyms
4-Hydroxy-3-methoxybenzoic acid; Benzoic acid, 4-hydroxy-3-methoxy-; Vanillic acid; VNL; 4-Hydroxy-3-methoxybenzoate; Vanillate
Graphical representations:
View large 3D structure
Molecular Formula: C8H8O4
Natural Isotopic Abundance Mass: 168.14672
Mono-Isotopic Molecular Masses:
- C12N14: 168.0422587452
- C13N14: 176.0690974476
- C12N15: 168.0422587452
- C13N15: 176.0690974476
InChI string: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
PubChem Compound (CID): 8468CAS Registry number: 118-34-3 121-34-6
ChEBI: CHEBI:30816
MMDB: 37054.5
KEGG Compound ID: C06672
ChemDB: 6691900
NIST Chemistry WebBook: 1814882549
PDB Compound ID: VNL
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)