Diethyl trans-cinnamylphosphonate

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Molecular Formula:

C13H19O3P

Molecular Weight:

254.26

CAS Number:

52378-69-5

Catalog Number:

52378-69-5

Product Information

Molecular Formula:

C13H19O3P

Molecular Weight:

254.26

Description

Diethyl trans-cinnamylphosphonate (CAS# 52378-69-5 ) is a useful research chemical.

Synonyms

Diethyl cinnamylphosphonate E; Phosphonic acid, P-[(2E)-3-phenyl-2-propen-1-yl]-, diethyl ester; ACMC-20al8g; ACMC-1AV5Q

IUPAC Name

3-diethoxyphosphorylprop-1-enylbenzene

Canonical SMILES

CCOP(=O)(CC=CC1=CC=CC=C1)OCC

InChI

InChI=1S/C13H19O3P/c1-3-15-17(14,16-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3

InChI Key

AWKOMEXJXBINBQ-UHFFFAOYSA-N

Flash Point

228.0 °CF

Purity

98 %

Density

1.093 g/mL at 25 °C (lit.)

Refractive Index

n20/D 1.5280 (lit.)

Computed Properties

XLogP3

2.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.10718146 g/mol

Monoisotopic Mass

254.10718146 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

260

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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Diethyl trans-cinnamylphosphonate

Product Information

Computed Properties

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