1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene


Chemical Name: 1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
CAS Number: 128638-55-1
Product Number: AG019ES6(AG019ES6)
Synonyms:
MDL No:
Molecular Formula: C11H13NO4
Molecular Weight: 223.2252

Identification/Properties


Computed Properties
Molecular Weight:
223.228g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
223.084g/mol
Monoisotopic Mass:
223.084g/mol
Topological Polar Surface Area:
64.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
260
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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