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1901-26-4

1901-26-4 structural image
Product Name: 3-methyl-4-phenyl-3-buten-2-one
Formula: C11H12O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description pale yellow crystalline solid with a sweet, fruity, berry, camphor odour
Solubility insoluble in water; soluble in organic solvents, oils

COMPUTED DESCRIPTORS

Molecular Weight 160.21 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 160.088815002 g/mol
Monoisotopic Mass 160.088815002 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 185
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3-Methyl-4-phenyl-3-buten-2-one is a member of benzenes.