Methyl-2-benzoylbenzoate

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Molecular Formula:

C15H12O3

Molecular Weight:

240.25

CAS Number:

606-28-0

Catalog Number:

606-28-0

Product Information

Molecular Formula:

C15H12O3

Molecular Weight:

240.25

Description

Methyl-2-benzoylbenzoate (CAS# 606-28-0) is a useful research chemical.

Synonyms

methyl 2-benzoylbenzoate

IUPAC Name

methyl 2-benzoylbenzoate

Canonical SMILES

COC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3

InChI Key

NQSMEZJWJJVYOI-UHFFFAOYSA-N

Boiling Point

352 °C

Melting Point

52 °C

Purity

98 %

Density

1.69 g/cm³

Appearance

White to orange to green powder to crystal

LogP

2.70420

Safety Information

Hazards

H412:
Harmful to aquatic life with long-lasting effects.

Precautionary Statement

P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

2.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

240.078644241 g/mol

Monoisotopic Mass

240.078644241 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

305

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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Methyl-2-benzoylbenzoate

Product Information

Safety Information

Computed Properties

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