Homovanillic Acid

Homovanillic Acid bmse000132 - Data bmst000317 - Theory

Homovanillic_acid synonyms

Vanillacetic acid; HMPA; 4-Hydroxy-3-methoxyphenylacetic acid; Benzeneacetic acid, 4-hydroxy-3-methoxy-; (4-HYDROXY-3-METHOXYPHENYL)ACETIC ACID; 4-Hydroxy-3-methoxybenzeneacetic acid; HVA; Homovanillate; 3-Methoxy-4-hydroxyphenylacetic acid; Acetic acid, (4-hydroxy-3-methoxyphenyl)- (8CI)

Wikipedia:

Graphical representations:

homovanillic_acid

View large 3D structure

Molecular Formula: C9H10O4

Natural Isotopic Abundance Mass: 182.1733000000

Mono-Isotopic Molecular Masses:

  • C12N14: 182.057908809
  • C13N14: 191.08810235
  • C12N15: 182.057908809
  • C13N15: 191.08810235

InChI string: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)

IUPAC: 2-(4-hydroxy-3-methoxy-phenyl)acetic acid

PubChem Compound (CID): 1738
KEGG Compound ID: C05582
CAS Registry number: 306-08-1
EINECS: 206-176-7
NSC: 16682

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)