3,5-Dimethoxybenzyl alcohol

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Product Information

Molecular Formula
C9H12O3
Molecular Weight
168.19
Description
3,5-Dimethoxybenzyl alcohol (CAS# 705-76-0) is used in the synthesis of Resveratrol (R150000).
Synonyms
(3,5-dimethoxyphenyl)methanol
IUPAC Name
(3,5-dimethoxyphenyl)methanol
SMILES
COC1=CC(=CC(=C1)CO)OC
InChI
InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChI Key
AUDBREYGQOXIFT-UHFFFAOYSA-N
Boiling Point
299.1 °C at 760 mmHg
Melting Point
46-50 °C
Flash Point
>230 °F
Purity
> 98.0 % (GC)
Density
1.111 g/cm3
Appearance
White to yellow-beige crystalline solid
Refractive Index
1.5470 (estimate)
LogP
1.19610

Computed Properties

XLogP3
1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
168.078644241 g/mol
Monoisotopic Mass
168.078644241 g/mol
Topological Polar Surface Area
38.7Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
115
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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