3,4-Dihydroxyphenylacetic Acid
3,4-Dihydroxyphenylacetic synonyms
(3,4-dihydroxyphenyl)acetic acid; 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID; 3,4-Dihydroxyphenyl acetate; 3,4-Dihydroxyphenyl acetic acid; 3,4-Dihydroxyphenylacetate; 3,4-dihydroxyphenylacetate; Acetic acid, (3,4-dihydroxyphenyl)-; Benzeneacetic acid, 3,4-dihydroxy-; DOPAC; Homoprotocatechuate; Homoprotocatechuic acid
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/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
BioCyc: CPD-782CAS Registry number: 102-32-9
ChEBI: CHEBI:41941
ChemBank: NCIOpen2_000518
ChemSpider: 15765504
KEGG Compound ID: C01161
NCGC: NCGC00093838-03
NIST: 1534838869
NMRShiftDB: 20039580
PDB Compound ID: DHY HAA
PubChem Compound (CID): 547
Shanghai Institute of Organic Chemistry: 3pcn
Sigma-Aldrich: 850217_ALDRICH
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)