55-10-7
Product Name:
4-Hydroxy-3-methoxymandelic acid
Formula:
C9H10O5
Synonyms:
α,4-Dihydroxy-3-methoxybenzeneacetic acid;Vanillomandelic acid;Vanillylmandelic acid;Vanilmandelic acid;VMA
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Pale yellow powder; Sweet vanilla aroma |
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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 |
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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 |
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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.