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2097625-94-8

2097625-94-8 structural image
Product Name: 1,3-Dioxolane-4-methanol, 2-phenyl-2-(2H-1,2,3-triazol-2-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4S)-rel-
Formula: C20H21N3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 415.5 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 7
Exact Mass 415.12019195 g/mol
Monoisotopic Mass 415.12019195 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 623
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes