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183948-77-8

183948-77-8 structural image
Product Name: (+/-)-JASMONIC ACID-9,10-D2 METHYL ESTER
Formula: C13H20O3
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COMPUTED DESCRIPTORS

Molecular Weight 226.31 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 226.153797988 g/mol
Monoisotopic Mass 226.153797988 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 281
Isotope Atom Count 2
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes