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5'-(4-Formyl-3-hydroxyphenyl)-3,3''-dihydroxy-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde

5'-(4-Formyl-3-hydroxyphenyl)-3,3''-dihydroxy-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde

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Molecular Formula:

C27H18O6

Molecular Weight:

438.43

CAS Number:

2244985-34-8

Catalog Number:

2244985-34-8

Product Information

Molecular Formula:

C27H18O6

Molecular Weight:

438.43

IUPAC Name

4-[3,5-bis(4-formyl-3-hydroxyphenyl)phenyl]-2-hydroxybenzaldehyde

Canonical SMILES

C1=CC(=C(C=C1C2=CC(=CC(=C2)C3=CC(=C(C=C3)C=O)O)C4=CC(=C(C=C4)C=O)O)O)C=O

InChI

InChI=1S/C27H18O6/c28-13-19-4-1-16(10-25(19)31)22-7-23(17-2-5-20(14-29)26(32)11-17)9-24(8-22)18-3-6-21(15-30)27(33)12-18/h1-15,31-33H

InChI Key

RMKVMLNVWUSOSN-UHFFFAOYSA-N

Purity

97%

Computed Properties

XLogP3

5.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

438.11033829

Monoisotopic Mass

438.11033829

Topological Polar Surface Area

112

Heavy Atom Count

Formal Charge

Complexity

579

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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5'-(4-Formyl-3-hydroxyphenyl)-3,3''-dihydroxy-[1,1':3',1''-terphenyl]-4,4''-dicarbaldehyde

Product Information

Computed Properties

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