Home Nitros ethyl (2E)-3-(4-nitrophenyl)but-2-enoate

ethyl (2E)-3-(4-nitrophenyl)but-2-enoate

CAS No.:
224635-61-4
Catalog Number:
AG01EM90
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
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Product Description
Catalog Number:
AG01EM90
Chemical Name:
ethyl (2E)-3-(4-nitrophenyl)but-2-enoate
CAS Number:
224635-61-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD25970302
IUPAC Name:
ethyl (E)-3-(4-nitrophenyl)but-2-enoate
InChI:
InChI=1S/C12H13NO4/c1-3-17-12(14)8-9(2)10-4-6-11(7-5-10)13(15)16/h4-8H,3H2,1-2H3/b9-8+
InChI Key:
GXKAVJLXZLKIAJ-CMDGGOBGSA-N
SMILES:
CCOC(=O)/C=C(/c1ccc(cc1)[N+](=O)[O-])\C
NSC Number:
211062
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties