1H-Pyrrole-2,5-dione,1-(4-benzoylphenyl)-

CAS

92944-71-3

Catalog Number

ACM92944713

Category

Other Products

Molecular Weight

277.27

Molecular Formula

C₁₇H₁₁NO₃

MSDS COA Spec Sheet

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What is the molecular formula of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The molecular formula is C17H11NO3.

What is the molecular weight of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The molecular weight is 277.27 g/mol.

What is the IUPAC name of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The IUPAC name is 1-(4-benzoylphenyl)pyrrole-2,5-dione.

What is the InChI of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The InChI is InChI=1S/C17H11NO3/c19-15-10-11-16(20)18(15)14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-11H.

What is the InChIKey of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The InChIKey is OZIZEXQRIOURIJ-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 1-(4-benzoylphenyl)pyrrole-2,5-dione have?

It has 3 hydrogen bond acceptors.

What is the topological polar surface area of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The topological polar surface area is 54.4 Å².

How many rotatable bonds does 1-(4-benzoylphenyl)pyrrole-2,5-dione have?

It has 3 rotatable bonds.

Is 1-(4-benzoylphenyl)pyrrole-2,5-dione a canonicalized compound?

Yes, it is a canonicalized compound.

What is the XLogP3 value of 1-(4-benzoylphenyl)pyrrole-2,5-dione?

The XLogP3 value is 2.4.

Upstream Synthesis Route 1

1137-41-3

92944-71-3

Reference: [1]Beyer; Krüger; Schumacher; Unger; Kratz
[Monatshefte fur Chemie, 1997, vol. 128, # 1, p. 91 - 102]
[2]Byrne, Andrew J.; Bright, Sandra A.; McKeown, James P.; O'brien, John E.; Twamley, Brendan; Fayne, Darren; Williams, D. Clive; Meegan, Mary J.
[Pharmaceuticals, 2020, vol. 13, # 1]

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