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Structure

4-Hydroxy-3-methoxymandelic acid

CAS
55-10-7
Catalog Number
ACM55107
Category
Other Products
Molecular Weight
198.17
Molecular Formula
C9H10O5

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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
Boiling Point
255.48 °C
Melting Point
132-134 °C(lit.)
Flash Point
173.7 °C
Density
1.2539 g/cm³
Solubility
Sparingly soluble in water
Appearance
White to off-white powder
Storage
2-8 °C
Complexity
205
Exact Mass
198.05282342
Monoisotopic Mass
198.05282342
pKa
3.42±0.10(Predicted)
Refractive Index
1.4570
Topological Polar Surface Area
87 Ų
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