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5878-43-3

5878-43-3 structural image
Product Name: 6-methylergoline-8beta-carboxylic acid
Formula: C16H18N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 270.33 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 270.136827821 g/mol
Monoisotopic Mass 270.136827821 g/mol
Topological Polar Surface Area 56.3 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 413
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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