3-Pyridineacetonitrile, a-[(3,4-dimethoxyphenyl)methylene]-


Chemical Name: 3-Pyridineacetonitrile, a-[(3,4-dimethoxyphenyl)methylene]-
CAS Number: 136831-48-6
Product Number: AG009ATR(AGN-PC-0PL33O)
Synonyms:
MDL No: MFCD00236444
Molecular Formula: C16H14N2O2
Molecular Weight: 266.2946

Identification/Properties


Computed Properties
Molecular Weight:
266.3g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
266.106g/mol
Monoisotopic Mass:
266.106g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
385
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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