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Diethyl p-phenylenediacrylate

CAT: 0013-GTR19224401-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224401-01Size:100 mg
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Description
Diethyl p-phenylenediacrylate is a bioactive small molecule utilized in research. It serves as a key intermediate in synthesizing compounds for investigating biological processes in both in vitro and in vivo studies, particularly within medicinal chemistry and photodynamic therapy research.
CAS Number
23746-57-8
Smiles
CCOC (=O) \C=C\c1ccc (\C=C\C (=O) OCC) cc1
Molecular Formula
C16H18O4
Molecular Weight
274.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diethyl p-phenylenediacrylate
CAS Number23746-57-8
PubChem CID6441554
IUPAC Nameethyl (E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
Molecular FormulaC16H18O4
Molecular Weight274.31
XLogP3.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity327
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)/C=C/C(=O)OCC
InChI
InChI=1S/C16H18O4/c1-3-19-15(17)11-9-13-5-7-14(8-6-13)10-12-16(18)20-4-2/h5-12H,3-4H2,1-2H3/b11-9+,12-10+
InChIKey
QYGWZBFQWUBYAT-WGDLNXRISA-N
Chemical Structure
2D Structure
2D structure of Diethyl p-phenylenediacrylate
CAS: 23746-57-8
CID: 6441554
Formula: C16H18O4
MW: 274.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.31
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass274.12050905
Monoisotopic Mass274.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes