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  • 4-Ethylpropiophenone
Name:4-Ethylpropiophenone
CAS No:27465-51-6
CAS No:75251-24-0

PRODUCT DESCRIPTION

【Name】
4-Ethylpropiophenone
【CAS Registry number】
27465-51-6;75251-24-0
【Synonyms】
p-ethylpropiophenone
4-cthyl proplophenone
1-(4-ETHYL-PHENYL)-PROPAN-1-ONE
4'-ETHYLPROPIOPHENONE
ETHYL 4-ETHYLPHENYL KETONE
4'-ETHYLPROPIOPHENONE 96+%
1-(4-Ethylphenyl)-1-propanone
【Molecular Formula】
C11H14O (Products with the same molecular formula)
【Molecular Weight】
162.23
【Inchi】
InChI=1/C11H14O/c1-3-10-4-6-11(7-5-10)8-9(2)12/h4-7H,3,8H2,1-2H3
【Canonical SMILES】
CCC1=CC=C(C=C1)CC(=O)C
【MOL File】
27465-51-6;75251-24-0.mol

Chemical and Physical Properties

【Density】
0.961g/cm3
【Boiling Point】
241°C at 760 mmHg
【Vapour】
0.0368mmHg at 25°C
【Refractive Index】
1.504
【Flash Point】
101.3°C
【Computed Properties】
Molecular Weight:162.22826 [g/mol]
Molecular Formula:C11H14O
XLogP3-AA:2.3
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:3
Tautomer Count:3
Exact Mass:162.104465
MonoIsotopic Mass:162.104465
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Formal Charge:0
Complexity:143
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:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:18

 

 

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