Propanedinitrile, [(3,4,5-trihydroxyphenyl)methylene]-


Chemical Name: Propanedinitrile, [(3,4,5-trihydroxyphenyl)methylene]-
CAS Number: 118409-58-8
Product Number: AG001NLO(AGN-PC-0JK640)
Synonyms:
MDL No:
Molecular Formula: C10H6N2O3
Molecular Weight: 202.1662

Identification/Properties


Computed Properties
Molecular Weight:
202.169g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
202.038g/mol
Monoisotopic Mass:
202.038g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
329
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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NMR Spectrum


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