2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-,(2E)-


Chemical Name: 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-,(2E)-
CAS Number: 130929-57-6
Product Number: AG000C6I(AGN-PC-0PJDFB)
Synonyms:
MDL No: MFCD00866580
Molecular Formula: C14H15N3O5
Molecular Weight: 305.2860

Identification/Properties


Computed Properties
Molecular Weight:
305.29g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
305.101g/mol
Monoisotopic Mass:
305.101g/mol
Topological Polar Surface Area:
130A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
500
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#:
-
Hazard Statements:
H315-H319-H335-H413
Precautionary Statements:
P261-P273-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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