CAS
95927-04-1 Purity
99 atom % D
95927-04-1 Purity
99 atom % D
![10,32,45,46-Tetraoxatricyclo[39.3.1.119,23]hexatetraconta-5,7,21,27,29,43-hexaene-9,31-dione,3,13,15,25,35,37-hexahydroxy-11,33-bis[(1S,2S,3S)-2-hydroxy-1,3-dimethyl-5-[(2S,4R,6S)-tetrahydro-4-methoxy](https://resource.alfa-chemistry.com/structure/95927-67-6.gif)
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2-Butene-1,4-dione,1,4-diphenyl-,(2E)-
CAS
959-28-4
Catalog Number
ACM959284
Category
Other Products
Molecular Weight
236.27
Molecular Formula
C16H12O2
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Specification
Synonyms
Dibenzoylethylene, trans-1,2-Dibenzoylethylene, 1,2-Dibenzoylethene, 1,2-Dibenzoylethylene, trans-Diphenacylidene, Ethylene, 1,2-dibenzoyl-, USAF ND-57, 1,4-Diphenyl-2-butene-1,4-dione, D33209_ALDRICH, trans-1,2-(Dibenzoyl)ethylene, 33560_FLUKA, EINECS 223-780-6, 1,4-Diphenylbut-2-ene-1,4-dione, MolPort-001-780-058, NSC 28072, AIDS017991, HMS1757J15, trans-1,4-Diphenyl-2-butene-1,4-dione, AIDS-017991, NSC 1983
IUPAC Name
(E)-1,4-diphenylbut-2-ene-1,4-dione
Canonical SMILES
C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
InChI Key
WYCXGQSQHAXLPK-VAWYXSNFSA-N
Boiling Point
368.5ºC at 760mmHg
Melting Point
108-112ºC
Flash Point
138.2ºC
Density
1.141g/cm³
Appearance
yellow crystalline powder
EC Number
213-498-1
Exact Mass
236.08400
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S24/25
WGK Germany
3
What is the molecular formula of 2-Butene-1,4-dione, 1,4-diphenyl-,(2E)?
The molecular formula is C16H12O2.
When was the compound created and last modified in PubChem?
The compound was created on 2005-03-27 and last modified on 2023-12-30.
What is the IUPAC name of 2-Butene-1,4-dione, 1,4-diphenyl-,(2E)?
The IUPAC name is (E)-1,4-diphenylbut-2-ene-1,4-dione.
How many hydrogen bond acceptor count does 2-Butene-1,4-dione, 1,4-diphenyl-,(2E) have?
It has 2 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 236.083729621 g/mol.
What is the topological polar surface area of 2-Butene-1,4-dione, 1,4-diphenyl-,(2E)?
The topological polar surface area is 34.1 Å2.
How many rotatable bond counts does the compound have?
It has 4 rotatable bond counts.
What is the XLogP3 value of 2-Butene-1,4-dione, 1,4-diphenyl-,(2E)?
The XLogP3 value is 3.2.
How many defined bond stereocenter counts does the compound have?
It has 1 defined bond stereocenter count.
What is the complexity value of 2-Butene-1,4-dione, 1,4-diphenyl-,(2E)?
The complexity value is 286.
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