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4-Hydroxy-3-methoxymandelic acid

May 15, 2024by admin0

4-Hydroxy-3-methoxymandelic acid structural formula

Structural formula

Business number 016R
Molecular formula C9H10O5
Molecular weight 198.17
label

3-methoxy-4-hydroxymandelic acid,

α,4-Dihydroxy-3-methoxybenzeneacetic acid,

Vanillomandelic acid,

Vanillylmandelic acid,

Vanilmandelic acid,

VMA

Numbering system

CAS number:55-10-7

MDL number:MFCD00004235

EINECS number:200-224-0

RTECS number:None

BRN number:2213227

PubChem ID:None

Physical property data

1. Character:White scaly crystals or powder. It is easy to resinize when heated or exposed to air for a long time.


2. Density (g/mL,25/4): Undetermined


3. Relative vapor density (g/mL,AIR=1): Undetermined


4. Melting point (ºC):131~133(decomposition)


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/ Log value of the partition coefficient (water): not determined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Easily soluble in acetone and water, slightly soluble in ether and acetonitrile, slightly soluble in benzene.

Toxicological data

None

Ecological data

None

Molecular structure data


1. Molar refractive index:47.46


2. Molar volume (m3/mol):137.5


3. isotonic specific volume (90.2K):392.7


4. Surface Tension (dyne/cm):70.9


5. Polarizability10-24cm3):13.00


Compute chemical data

1.   Hydrophobic parameter calculation reference value (XlogP): -0.2


2. Number of hydrogen bond donors: 3


3. Number of hydrogen bond acceptors: 5


4. Number of rotatable chemical bonds: 3


5. Number of tautomers: 3


6. Topological molecular polar surface area (TPSA):87


7. Number of heavy atoms: 14


8. Surface charge: 0


9. Complexity: 205


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 1


13. Determine the number of stereocenters of chemical bonds: 0


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed in0The following Store dry and away from light.

Synthesis methodLaw

None

Purpose

For biochemical research.

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