Methyl 3,5-dimethoxybenzoate

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Molecular Formula:

C10H12O4

Molecular Weight:

196.20

CAS Number:

2150-37-0

Catalog Number:

2150-37-0

Product Information

Molecular Formula:

C10H12O4

Molecular Weight:

196.20

Description

Methyl 3,5-dimethoxybenzoate (CAS# 2150-37-0) is a useful research chemical.

Synonyms

methyl 3,5-dimethoxybenzoate

IUPAC Name

methyl 3,5-dimethoxybenzoate

Canonical SMILES

COC1=CC(=CC(=C1)C(=O)OC)OC

InChI

InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3

InChI Key

YXUIOVUOFQKWDM-UHFFFAOYSA-N

Boiling Point

298 °C (lit.)

Melting Point

42-43 °C (lit.)

Flash Point

>230 °F

Purity

> 99.0 % (GC)

Density

1.119 g/cm³

Solubility

Very slightly soluble in water and acetone

Appearance

White to beige powder or granules

Refractive Index

1.5430 (estimate)

LogP

1.49040

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.07355886 g/mol

Monoisotopic Mass

196.07355886 g/mol

Topological Polar Surface Area

44.8Å²

Heavy Atom Count

Formal Charge

Complexity

181

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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Methyl 3,5-dimethoxybenzoate

Product Information

Computed Properties

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