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1443980-62-8

1443980-62-8 structural image
Product Name: 1H-Pyrrole-3-carboxylic acid, 5-cyano-
Formula: C6H4N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 136.11 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 136.027277375 g/mol
Monoisotopic Mass 136.027277375 g/mol
Topological Polar Surface Area 76.9 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 193
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

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