trans-1,4-Diphenyl-2-butene-1,4-dione - CAS 959-28-4

Name: trans-1,4-Diphenyl-2-butene-1,4-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041914
Product Name:	trans-1,4-Diphenyl-2-butene-1,4-dione
CAS:	959-28-4
Synonyms:	(E)-1,4-diphenylbut-2-ene-1,4-dione

Technical Data

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Literatures

Computed Properties

IUPAC Name:	(E)-1,4-diphenylbut-2-ene-1,4-dione
Description:	trans-1,4-Diphenyl-2-butene-1,4-dione (CAS# 959-28-4) is a useful research chemical.
Molecular Weight:	236.27
Molecular Formula:	C16H12O2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
InChI:	InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+
InChI Key:	WYCXGQSQHAXLPK-VAWYXSNFSA-N
Boiling Point:	368.5 °C at 760 mmHg
Density:	1.141 g/cm³
Appearance:	Yellow crystalline powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00003083
LogP:	3.30840

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

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PMID	Publication Date	Title	Journal
18088142	20080118	Face-selective Diels-Alder reactions between unsymmetrical cyclohexadienes and symmetric trans-dienophile: an experimental and computational investigation	The Journal of organic chemistry
16878340	20060101	Unimolecular dissociation of protonated trans-1,4-diphenyl-2-butene-1,4-dione in the gas phase: rearrangement versus simple cleavage	Rapid communications in mass spectrometry : RCM

Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	236.083729621
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2