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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:50, 15 February 2012 (Saving copy of the {{chembox}} taken from revid 475944501 of page Mandelic_acid for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:50, 15 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 475944501 of page Mandelic_acid for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 475944501 of page Mandelic_acid with values updated to verified values.
Mandelic acid
Names
IUPAC name 2-Hydroxy-2-phenylacetic acid
Other names Mandelic acid
Phenylglycolic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
PubChem CID
UNII
InChI
  • InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)Key: IWYDHOAUDWTVEP-UHFFFAOYSA-N
  • InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)Key: IWYDHOAUDWTVEP-UHFFFAOYAD
SMILES
  • O=C(O)C(O)c1ccccc1
Properties
Chemical formula C8H8O3
Molar mass 152.149 g·mol
Appearance White crystalline powder
Density 1.30 g/cm
Melting point 119 °C (optically pure: 132 – 135 °C)
Solubility in water 15.87 g per 100 mL
Acidity (pKa) 3.41
Hazards
Flash point 162.6 °C (324.7 °F)
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. Merck Index, 11th Edition, 5599.
  2. Bjerrum, J., et al. Stability Constants, Chemical Society, London, 1958.