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14397-59-2

14397-59-2 structural image
Product Name: ISOPHORONE (3-METHYL-D3, 2,4,4,6,6-D5)
Formula: C9H6D8O
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COMPUTED DESCRIPTORS

Molecular Weight 146.26 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 146.154679033 g/mol
Monoisotopic Mass 146.154679033 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 187
Isotope Atom Count 8
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
Compound Is Canonicalized Yes