tert-butyl (2E)-3-phenylprop-2-enoate

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Molecular Formula:

C13H16O2

Molecular Weight:

204.2649

CAS Number:

7042-36-6

Catalog Number:

7042-36-6

Product Information

Molecular Formula:

C13H16O2

Molecular Weight:

204.2649

Description

tert-butyl (2E)-3-phenylprop-2-enoate is a remarkable and potent chemical compound that finds its utility in the realm of pharmaceuticals and biomedicine. Renowned for its multifaceted nature, this compound holds immense promise in combatting an array of afflictions, encompassing maladies like cancer, inflammation, and neurological disorders.

Synonyms

tert-butylcinnamate; tert-Butyl cinnamate; (E)-tert-Butyl 3-phenylacrylate; 3-phenyl-acrylic acid tert-butyl ester; tert-butyl (2E)-3-phenylprop-2-enoate; TERT-BUTYL CINNAMATE98; t-butyl cinnamate; 2-Propenoic acid, 3-phenyl-, 1,1-dimethylethyl ester; tert-Butyl cinnamate, 98%; Benzeneacrylic acid tert-butyl ester; tert-butyl (2E)-3-phenyl-2-propenoate; (E)-3-phenyl-2-propenoic acid tert-butyl ester; 2-Propenoicacid,3-phenyl-,1,1-dimethylethylester

IUPAC Name

tert-butyl (E)-3-phenylprop-2-enoate

Canonical SMILES

CC(C)(C)OC(=O)C=CC1=CC=CC=C1

InChI

InChI=1S/C13H16O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+

InChI Key

AGKLVMVJXDFIGC-MDZDMXLPSA-N

Boiling Point

85 ℃/0.12 mmHg (lit.)

Flash Point

Not applicable

Purity

0.98

Density

1 g/mL at 25 ℃ (lit.)

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

204.115029749 g/mol

Monoisotopic Mass

204.115029749 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

229

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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tert-butyl (2E)-3-phenylprop-2-enoate

Product Information

Computed Properties

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