3-hydroxymandelic Acid

3_hydroxymandelic_acid synonyms

alpha,3-Dihydroxybenzeneacetic acid; 3-Hydroxymandelic acid; Hydroxy(3-hydroxyphenyl)acetic acid; 3-Hydroxyphenylglycolic acid; dl-Hydroxy(m-hydroxyphenyl)acetic acid

Wikipedia:

Graphical representations:

3_hydroxymandelic_acid

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/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m1/s1

PubChem Compound (CID): 86957
CAS Registry number: 17119-15-2
Sigma-Aldrich: 55520_FLUKA
ChemIDplus: 017119152
EINECS: 241-182-3
ChemDB: 6046659
NIST: 3320276251
MMCD: cq_10776
MDL: MFCD00042723

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)