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4996-15-0

4996-15-0 structural image
Product Name: (3-NITROPHENYL)-PROPYNOIC ACID
Formula: C9H5NO4
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COMPUTED DESCRIPTORS

Molecular Weight 191.14 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 191.02185764 g/mol
Monoisotopic Mass 191.02185764 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 306
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