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64432-74-2

64432-74-2 structural image
Product Name: 3-Buten-2-one, 4-(2-ethynylphenyl)-, (E)- (9CI)
Formula: C12H10O
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COMPUTED DESCRIPTORS

Molecular Weight 170.21 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 170.073164938 g/mol
Monoisotopic Mass 170.073164938 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 254
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