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2-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester

2-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester

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Molecular Formula:

C8H10O4

Molecular Weight:

170.16

CAS Number:

130224-95-2

Catalog Number:

130224-95-2

Product Information

Molecular Formula:

C8H10O4

Molecular Weight:

170.16

Description

2-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester, an imperative bioactive moiety, finds remarkable application in combating diverse ailments such as neoplastic conditions and inflammatory disorders. This compound possesses potent antitumor and anti-inflammatory properties, leading to broad applications in biomedical research and pharmacological advances.

Synonyms

β-Hydroxy-γ-butyrolactone Methacrylate (stabilized with MEHQ)||||Methacrylic Acid 5-Oxotetrahydrofuran-3-yl Ester (stabilized with MEHQ)

IUPAC Name

(5-oxooxolan-3-yl) 2-methylprop-2-enoate

Canonical SMILES

CC(=C)C(=O)OC1CC(=O)OC1

InChI

InChI=1S/C8H10O4/c1-5(2)8(10)12-6-3-7(9)11-4-6/h6H,1,3-4H2,2H3

InChI Key

ZROFAXCQYPKWCY-UHFFFAOYSA-N

Melting Point

21 °C

Flash Point

152 °C

Purity

>97.0%(GC)

Appearance

White to Almost white powder to lump

Storage

0-10°C

Computed Properties

XLogP3

0.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

170.05790880 g/mol

Monoisotopic Mass

170.05790880 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

231

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-Propenoic acid, 2-methyl-, tetrahydro-5-oxo-3-furanyl ester

Product Information

Computed Properties

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