Specification
Synonyms
Vanilinmandelic acid
IUPAC Name
2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Canonical SMILES
COC1=C(C=CC(=C1)C(C(=O)O)O)O
InChI
InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChI Key
CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Melting Point
132-134 °C(lit.)
Solubility
Sparingly soluble in water
Appearance
White to off-white powder
Monoisotopic Mass
198.05282342
Topological Polar Surface Area
87 Ų