3,5-Dimethoxybenzaldehyde

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Product Information

Molecular Formula:
C9H10O3
Molecular Weight:
166.17
Description
3,5-Dimethoxybenzaldehyde (CAS# 7311-34-4) is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures.
Synonyms
3,5-dimethoxybenzaldehyde
IUPAC Name
3,5-dimethoxybenzaldehyde
Canonical SMILES
COC1=CC(=CC(=C1)C=O)OC
InChI
InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3
InChI Key
VFZRZRDOXPRTSC-UHFFFAOYSA-N
Boiling Point
151 °C16 mmHg (lit.)
Melting Point
45-48 °C (lit.)
Flash Point
>230 °F
Purity
95 %
Density
1.114 g/cm3
Appearance
White to beige crystalline solid
Refractive Index
1.5260 (estimate)
LogP
1.51630

Safety Information

Hazards
H315 H319
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
1.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
166.062994177 g/mol
Monoisotopic Mass
166.062994177 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
135
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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