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57519-09-2

57519-09-2 structural image
Product Name: N'-Methyl-L-histidine methyl ester
Formula: C8H13N3O2
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COMPUTED DESCRIPTORS

Molecular Weight 183.21 g/mol
XLogP3 -0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 183.100776666 g/mol
Monoisotopic Mass 183.100776666 g/mol
Topological Polar Surface Area 70.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 186
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes