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54474-50-9

54474-50-9 structural image
Product Name: 2,4-DIMETHYL-3-PYRROLEPROPIONIC ACID
Formula: C9H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 167.20 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 167.094628657 g/mol
Monoisotopic Mass 167.094628657 g/mol
Topological Polar Surface Area 53.1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 170
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes