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  • Methanone,(4-methoxyphenyl)(4-methylphenyl)
Name:Methanone,(4-methoxyphenyl)(4-methylphenyl)
CAS No:23886-71-7

PRODUCT DESCRIPTION

【Name】
Methanone,(4-methoxyphenyl)(4-methylphenyl)-
【Iupac name】
(4-methoxyphenyl)-(4-methylphenyl)methanone
【CAS Registry number】
23886-71-7
【Synonyms】
Benzophenone,4-methoxy-4'-methyl- (7CI,8CI)
(4-Methoxyphenyl)(4-methylphenyl)methanone
(4-Methoxyphenyl)(4-tolyl)methanone
4-Methoxy-4'-methylbenzophenone
4-Methoxyphenyl 4-methylphenyl ketone
4-Methyl-4'-methoxybenzophenone
NSC163357
【Molecular Formula】
C15H14 O2 (Products with the same molecular formula)
【Molecular Weight】
226.2705
【Inchi】
InChI=1/C15H14O2/c1-11-3-5-12(6-4-11)15(16)13-7-9-14(17-2)10-8-13/h3-10H,1-2H3
【Canonical SMILES】
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC
【MOL File】
23886-71-7.mol

Chemical and Physical Properties

【Density】
1.088 g/cm3
【Boiling Point】
374.9 °C at 760 mmHg
【Vapour】
8.06E-06mmHg at 25°C
【Refractive Index】
1.563
【Flash Point】
169.8 °C
【Computed Properties】
Molecular Weight:226.27046 [g/mol]
Molecular Formula:C15H14O2
XLogP3:4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:3
Tautomer Count:4
Exact Mass:226.09938
MonoIsotopic Mass:226.09938
Topological Polar Surface Area:26.3
Heavy Atom Count:17
Formal Charge:0
Complexity:246
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:3
Conformer Sampling RMSD:0.6
CID Conformer Count:6

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