3,5-Diacetoxyacetophenone

Inquiry

Molecular Formula:

C12H12O5

Molecular Weight:

236.22

CAS Number:

35086-59-0

Catalog Number:

35086-59-0

Product Information

Molecular Formula:

C12H12O5

Molecular Weight:

236.22

Description

3,5-Diacetoxyacetophenone is a biomedical small molecule. Taking advantage of its pharmacological properties, this particular compound exhibits potent anti-tumor efficacy against specific cancer variants. Additionally, it has anti-inflammatory and analgesic properties.

Synonyms

5-Acetyl-1,3-phenylene diacetate; 3,5-Diacetoxyacetophenone; (3-acetyl-5-acetyloxyphenyl) acetate; 3',5'-Diacetyloxyacetophenone; Ethanone, 1-[3,5-bis(acetyloxy)phenyl]-; 3-acetyl-5-(acetyloxy)phenyl acetate; 3,5-Diacetoxy Acetophenone; 1-(3,5-BIS(ACETYLOXY)PHENYL)-; 5-Acetyl-1,3-phenylenediacetate; (3-acetoxy-5-acetyl-phenyl) acetate

IUPAC Name

(3-acetyl-5-acetyloxyphenyl) acetate

Canonical SMILES

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

InChI

InChI=1S/C12H12O5/c1-7(13)10-4-11(16-8(2)14)6-12(5-10)17-9(3)15/h4-6H,1-3H3

InChI Key

QODJHYBESCIPOG-UHFFFAOYSA-N

Boiling Point

165-168 °C (0.7501 mmHg)

Melting Point

91-94 °C(lit.)

Purity

>98.0%(GC)

Density

1.3026 (rough estimate)

Appearance

Light yellow to Brown powder to crystal

Refractive Index

1.5140 (estimate)

Computed Properties

XLogP3

1.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

236.06847348 g/mol

Monoisotopic Mass

236.06847348 g/mol

Topological Polar Surface Area

69.7Å²

Heavy Atom Count

Formal Charge

Complexity

299

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

Patents

Publication Number	Title	Priority Date
CN-111499528-A	Terbutaline sulfate intermediate, preparation method thereof and method for preparing terbutaline sulfate by using terbutaline sulfate intermediate	2020-04-28
JP-2017155211-A	Discoloring or discoloring ink composition	2016-02-26
CN-105254512-B	Preparation method of terbutaline sulphate	2015-11-10
JP-2017082142-A	Pressure-sensitive decoloring and discoloring ink composition	2015-10-30
JP-2017012998-A	Microcapsule and manufacturing method thereof	2015-06-30
JP-2016160327-A	Discoloring or discoloring ink composition	2015-02-27
JP-2015091941-A	Decolorizing and discoloring ink composition	2013-09-30
JP-2015143319-A	Decolorizing and discoloring ink composition for writing and drawing	2013-06-28
CA-2831795-A1	Solid red ink formulations	2012-11-02
CA-2831795-C	Solid red ink formulations	2012-11-02

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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3,5-Diacetoxyacetophenone

Product Information

Computed Properties

Patents

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