2-Propen-1-one,3-(2...

2-Propen-1-one,3-(2-methoxy-1-naphthalenyl)-1-phenyl-(CAS No. 5460-77-5)

2-Propen-1-one,3-(2-methoxy-1-naphthalenyl)-1-phenyl-(CAS No. 5460-77-5)

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2-Propen-1-one,3-(2-methoxy-1-naphthalenyl)-1-phenyl- 5460-77-5 98%

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  • Appearance:Solid
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Details:

【Name】
2-Propen-1-one,3-(2-methoxy-1-naphthalenyl)-1-phenyl-
【Iupac name】
3-(2-methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one
【CAS Registry number】
5460-77-5
【Synonyms】
Acrylophenone,3-(2-methoxy-1-naphthyl)- (8CI)
NSC 19039
【Molecular Formula】
C20H16 O2 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C23H16Cl2N2O4/c1-12-3-8-20(31-2)19(9-12)26-21(28)13-4-6-15-16(10-13)23(30)27(22(15)29)14-5-7-17(24)18(25)11-14/h3-11H,1-2H3,(H,26,28)
【Canonical SMILES】
COC1=C(C2=CC=CC=C2C=C1)C=CC(=O)C3=CC=CC=C3
【MOL File】
5460-77-5.mol
Chemical and Physical Properties
【Density】
1.469g/cm3
【Refractive Index】
1.686
【Computed Properties】
Molecular Weight:288.33984 [g/mol]
Molecular Formula:C20H16O2
XLogP3-AA:4.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:288.11503
MonoIsotopic Mass:288.11503
Topological Polar Surface Area:26.3
Heavy Atom Count:22
Formal Charge:0
Complexity:395
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:2
Feature 3D Ring Count:3
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:30

 

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