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1150310-15-8

1150310-15-8 structural image
Product Name: (alphaE)-alpha-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-beta-oxo-1-piperidinepropanenitrile
Formula: C15H15N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 317.30 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 317.10117059 g/mol
Monoisotopic Mass 317.10117059 g/mol
Topological Polar Surface Area 130 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 541
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes