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  • Methanone,(4-ethoxyphenyl)phenyl
Name:Methanone,(4-ethoxyphenyl)phenyl
CAS No:27982-06-5

PRODUCT DESCRIPTION

【Name】
Methanone,(4-ethoxyphenyl)phenyl-
【Iupac name】
(4-ethoxyphenyl)-phenylmethanone
【CAS Registry number】
27982-06-5
【Synonyms】
Benzophenone,4-ethoxy- (6CI,7CI,8CI)
4-Ethoxybenzophenone
NSC 64687
p-Ethoxybenzophenone
【Molecular Formula】
C15H14O2 (Products with the same molecular formula)
【Molecular Weight】
226.2705
【Inchi】
InChI=1/C15H14O2/c1-2-17-14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3
【Canonical SMILES】
CCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
【MOL File】
27982-06-5.mol

Chemical and Physical Properties

【Density】
1.087 g/cm3
【Boiling Point】
358.3 °C at 760 mmHg
【Vapour】
2.56E-05mmHg at 25°C
【Refractive Index】
1.56
【Flash Point】
158.8 °C
【Computed Properties】
Molecular Weight:226.27046 [g/mol]
Molecular Formula:C15H14O2
XLogP3:3.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:226.09938
MonoIsotopic Mass:226.09938
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Formal Charge:0
Complexity:235
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:4

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