2-METHOXYISOPHTHALIC ACID

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Molecular Formula:

C9H8O5

Molecular Weight:

196.16

CAS Number:

1951-38-8

Catalog Number:

1951-38-8

Product Information

Molecular Formula:

C9H8O5

Molecular Weight:

196.16

Description

2-Methoxyisophthalic acid is a versatile compound with potential pharmaceutical applications. Its significance arises from its role as an intermediate in the synthesis of diverse drugs and molecules, notably including anti-inflammatory and anticancer agents. Furthermore, this compound exhibits promise in addressing ailments like rheumatoid arthritis and select cancer types.

Synonyms

2-METHOXYISOPHTHALIC ACID

IUPAC Name

2-methoxybenzene-1,3-dicarboxylic acid

Canonical SMILES

COC1=C(C=CC=C1C(=O)O)C(=O)O

InChI

InChI=1S/C9H8O5/c1-14-7-5(8(10)11)3-2-4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChI Key

ZRWAPLTWCQQSAN-UHFFFAOYSA-N

Melting Point

213-215 °C (lit.)

Flash Point

Not applicable

Purity

0.85

Computed Properties

XLogP3

0.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.03717335 g/mol

Monoisotopic Mass

196.03717335 g/mol

Topological Polar Surface Area

83.8Å²

Heavy Atom Count

Formal Charge

Complexity

215

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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2-METHOXYISOPHTHALIC ACID

Product Information

Computed Properties

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