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652969-01-2

652969-01-2 structural image
Product Name: 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate (1:1)
Formula: C30H41ClN2O9S
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COMPUTED DESCRIPTORS

Molecular Weight 641.2 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 12
Exact Mass 640.2221298 g/mol
Monoisotopic Mass 640.2221298 g/mol
Topological Polar Surface Area 180 Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 1050
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

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