2-(2,2-dimethyl-5-p...

2-(2,2-dimethyl-5-phenylfuran-3(2H)-ylidene)-3-oxo-3-phenylpropanal(CAS No. 54620-59-6)

2-(2,2-dimethyl-5-phenylfuran-3(2H)-ylidene)-3-oxo-3-phenylpropanal(CAS No. 54620-59-6)

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2-(2,2-dimethyl-5-phenyl-3-furylidene)-3-oxo-3-phenyl-propanal 54620-59-6 98%

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  • Appearance:Solid
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Details:

【Name】
2-(2,2-dimethyl-5-phenylfuran-3(2H)-ylidene)-3-oxo-3-phenylpropanal
【CAS Registry number】
54620-59-6
【Synonyms】
AC1L7QFF
2-(2,2-dimethyl-5-phenylfuran-3-ylidene)-3-oxo-3-phenylpropanal
【Molecular Formula】
C21H18O3 (Products with the same molecular formula)
【Molecular Weight】
318.3658
【Inchi】
InChI=1/C21H18O3/c1-21(2)18(13-19(24-21)15-9-5-3-6-10-15)17(14-22)20(23)16-11-7-4-8-12-16/h3-14H,1-2H3
【Canonical SMILES】
CC1(C(=C(C=O)C(=O)C2=CC=CC=C2)C=C(O1)C3=CC=CC=C3)C
【MOL File】
54620-59-6.mol
Chemical and Physical Properties
【Density】
1.169g/cm3
【Boiling Point】
472.7°C at 760 mmHg
【Refractive Index】
1.591
【Flash Point】
207.9°C
【Computed Properties】
Molecular Weight:318.36582 [g/mol]
Molecular Formula:C21H18O3
XLogP3-AA:3.6
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:318.125594
MonoIsotopic Mass:318.125594
Topological Polar Surface Area:43.4
Heavy Atom Count:24
Formal Charge:0
Complexity:556
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:4.4
Conformer Sampling RMSD:0.8
CID Conformer Count:5

 

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