CAS 538-58-9 1,5-Diphenylpenta-1,4-dien-3-one

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1,5-Diphenylpenta-1,4-dien-3-one

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Catalog Number

ACM538589-1

CAS Number

538-58-9

Product Name

1,5-Diphenylpenta-1,4-dien-3-one

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

Dibenzylideneacetone; 1,5-Diphenyl-3-pentadienone

IUPAC Name

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one

Molecular Weight

234.29

Molecular Formula

C17H14O

Canonical SMILES

C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2;

InChI

WMKGGPCROCCUDY-PHEQNACWSA-N

InChI Key

InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+

Boiling Point

400.7 °C at 760 mmHg

Melting Point

107-113 °C

Purity

98%

Appearance

Solid

Storage

0-6°C

Complexity

272

Covalently-Bonded Unit Count

Defined Bond Stereocenter Count

EC Number

208-697-5

Exact Mass

234.104g/mol

Heavy Atom Count

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2

Monoisotopic Mass

234.104g/mol

NSC Number

623642

Rotatable Bond Count

Topological Polar Surface Area

17.1A^2

UNII

9QXO7BCY9L

MSDS

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COA

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Spec Sheet

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