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Substance Name: Vanilmandelic acid
RN: 55-10-7
UNII: 0DQI268449
InChIKey: CGQCWMIAEPEHNQ-UHFFFAOYSA-N

Note

  • A 3-O-methyl ether of 3,4-dihydroxymandelic acid. It is an end-stage metabolite of CATECHOLAMINES; EPINEPHRINE; and NOREPINEPHRINE.

Molecular Formula

  • C9-H10-O5

Molecular Weight

  • 198.173
 
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Names and Synonyms

Name of Substance

  • Vanilmandelic acid

MeSH Heading

  • Vanilmandelic acid

Synonyms

  • EINECS 200-224-0
  • UNII-0DQI268449
  • Vanilmandelic acid

Systematic Names

  • 4-Hydroxy-3-methoxymandelic acid
  • Benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-

Registry Numbers

CAS Registry Number

  • 55-10-7

FDA UNII

  • 0DQI268449

Other Registry Number

  • 2394-20-9

System Generated Number

  • 0000055107

Structure Descriptors

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)

InChIKey

CGQCWMIAEPEHNQ-UHFFFAOYSA-N

Smiles

COc1cc(ccc1O)C(O)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132 dec deg C   EXP
log P (octanol-water) -0.090 (none)   EST
Atmospheric OH Rate Constant 4.18E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.