200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 80854-57-5
80854-57-5 | ethyl 3-(4-nitrophenyl)but-2-enoate
CAS No: 80854-57-5 Catalog No: AG01A68K MDL No:MFCD25970302
Product Description
Catalog Number:
AG01A68K
Chemical Name:
ethyl 3-(4-nitrophenyl)but-2-enoate
CAS Number:
80854-57-5
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD25970302
IUPAC Name:
ethyl 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
InChI Key:
GXKAVJLXZLKIAJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.