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55-10-7

55-10-7 structural image
Product Name: 4-Hydroxy-3-methoxymandelic acid
Formula: C9H10O5
Synonyms: α,4-Dihydroxy-3-methoxybenzeneacetic acid;Vanillomandelic acid;Vanillylmandelic acid;Vanilmandelic acid;VMA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale yellow powder; Sweet vanilla aroma
Solubility Sparingly soluble in water
Collision Cross Section 133.3 Ų [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 198.17 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 198.05282342 g/mol
Monoisotopic Mass 198.05282342 g/mol
Topological Polar Surface Area 87 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 205
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Vanillylmandelic acid is an aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid. It has a role as a human metabolite. It is an aromatic ether, a 2-hydroxy monocarboxylic acid and a member of phenols. It is functionally related to a mandelic acid. It is a conjugate acid of a vanillylmandelate.