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5,5'-(1,3-Phenylenebis(ethyne-2,1-diyl))bis(3-(tert-butyl)-2-hydroxybenzaldehyde)

5,5'-(1,3-Phenylenebis(ethyne-2,1-diyl))bis(3-(tert-butyl)-2-hydroxybenzaldehyde)

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Molecular Formula:

C32H30O4

Molecular Weight:

478.58

CAS Number:

943407-01-0

Catalog Number:

943407-01-0

Product Information

Molecular Formula:

C32H30O4

Molecular Weight:

478.58

Synonyms

5,5'-(1,3-Phenylenebis(ethyne-2,1-diyl))bis(3-(tert-butyl)-2-hydroxybenzaldehyde); 5,5'-[1,3-Phenylenebis(1,2-ethynediyl)]bis(3-tert-butylsalicylaldehyde)

IUPAC Name

3-tert-butyl-5-[2-[3-[2-(3-tert-butyl-5-formyl-4-hydroxyphenyl)ethynyl]phenyl]ethynyl]-2-hydroxybenzaldehyde

Canonical SMILES

CC(C)(C)C1=CC(=CC(=C1O)C=O)C#CC2=CC(=CC=C2)C#CC3=CC(=C(C(=C3)C(C)(C)C)O)C=O

InChI

InChI=1S/C32H30O4/c1-31(2,3)27-17-23(15-25(19-33)29(27)35)12-10-21-8-7-9-22(14-21)11-13-24-16-26(20-34)30(36)28(18-24)32(4,5)6/h7-9,14-20,35-36H,1-6H3

InChI Key

OAJNEVOHPGKMBT-UHFFFAOYSA-N

Purity

98%

Solubility

Poorly soluble

Safety Information

Hazards

H302-H315-H319-H335

Precautionary Statement

P261-P280-P301+P312-P302+P352-P305+P351+P338

GHS Pictogram

GHS07

Signal Word

Warning

Computed Properties

XLogP3

8.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

478.21440943

Monoisotopic Mass

478.21440943

Topological Polar Surface Area

74.6

Heavy Atom Count

Formal Charge

Complexity

836

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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5,5'-(1,3-Phenylenebis(ethyne-2,1-diyl))bis(3-(tert-butyl)-2-hydroxybenzaldehyde)

Product Information

Safety Information

Computed Properties

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