VINYL-N-VALERATE

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Molecular Formula:

C7H12O2

Molecular Weight:

128.16

CAS Number:

5873-43-8

Catalog Number:

5873-43-8

Product Information

Molecular Formula:

C7H12O2

Molecular Weight:

128.16

Description

VINYL-N-VALERATE is a widely employed chemical compound in the biomedical field and has garnered significant attention due to its prospective therapeutic implications on various illnesses, notably cancer. Robust investigations have unveiled the formidable anti-neoplastic attributes inherent in VINYL-N-VALERATE, thereby stimulating profound interest in pursuing extensive investigation and pharmaceutical innovation to combat malignancies.

Synonyms

Vinyl valerate; ethenyl pentanoate; VINYL n-VALERATE; vinyl pentanoate; Valeriansaurevinylester; Valeric acid vinyl ester; Vinyl trimethylacetate; Vinyl valerate, contains <=1000 ppm hydroquinone as stabilizer, 97%

IUPAC Name

ethenyl pentanoate

Canonical SMILES

CCCCC(=O)OC=C

InChI

InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h4H,2-3,5-6H2,1H3

InChI Key

BLZSRIYYOIZLJL-UHFFFAOYSA-N

Flash Point

93.9 °CF - closed cup

Purity

0.97

Density

0.899 g/mL at 25 °C

Storage

−20°C

Refractive Index

n20/D 1.417

Safety Information

Hazards

H226 - H400

Precautionary Statement

P210 - P273

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

128.083729621 g/mol

Monoisotopic Mass

128.083729621 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

97.1

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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VINYL-N-VALERATE

Product Information

Safety Information

Computed Properties

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