t-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate


Chemical Name: t-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CAS Number: 1255574-90-3
Product Number: AG000NUX(AGN-PC-0WAF2Y)
Synonyms:
MDL No:
Molecular Formula: C12H13N3O4
Molecular Weight: 263.2493

Identification/Properties


Computed Properties
Molecular Weight:
263.253g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
263.091g/mol
Monoisotopic Mass:
263.091g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
550
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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