Acetophenone O-Benzoyloxime

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Molecular Formula:

C15H13NO2

Molecular Weight:

239.27

CAS Number:

26060-56-0

Catalog Number:

26060-56-0

Product Information

Molecular Formula:

C15H13NO2

Molecular Weight:

239.27

Description

Acetophenone O-Benzoyloxime is a multifaceted compound widely employed in the biomedicine sector and assumes pivotal significance due to its indispensable involvement in the synthesis of diverse pharmaceutical agents, specifically tailored for combatting neurological disorders, cancer, and infectious ailments. Thus, its profound versatility substantiates its indispensability as a constituent for manufacturing imperative life-preserving medications.

Synonyms

[(E)-1-phenylethylideneamino] benzoate; Acetophenoneo-benzoyloxime; (1E)-1-Phenylethanone o-benzoyloxime

IUPAC Name

[(E)-1-phenylethylideneamino] benzoate

Canonical SMILES

CC(=NOC(=O)C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO2/c1-12(13-8-4-2-5-9-13)16-18-15(17)14-10-6-3-7-11-14/h2-11H,1H3/b16-12+

InChI Key

KLJLQTJYNGGTIU-FOWTUZBSSA-N

Melting Point

100 °C

Purity

>98.0%(HPLC)(N)

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

3.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

239.094628657 g/mol

Monoisotopic Mass

239.094628657 g/mol

Topological Polar Surface Area

38.7Å²

Heavy Atom Count

Formal Charge

Complexity

300

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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Acetophenone O-Benzoyloxime

Product Information

Computed Properties

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