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61764-82-7

61764-82-7 structural image
Product Name: METHYL TRANS-CINNAMATE-D5 (PHENYL-D5)
Formula: C10H5D5O2
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COMPUTED DESCRIPTORS

Molecular Weight 167.22 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 167.099463287 g/mol
Monoisotopic Mass 167.099463287 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 167
Isotope Atom Count 5
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