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Home > Nitro Compounds > 53618-29-4
53618-29-4 | ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate
CAS No: 53618-29-4 Catalog No: AG01A68M MDL No:MFCD17015566
Product Description
Catalog Number:
AG01A68M
Chemical Name:
ethyl 2-methyl-3-(4-nitrophenyl)prop-2-enoate
CAS Number:
53618-29-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD17015566
IUPAC Name:
ethyl (E)-2-methyl-3-(4-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C12H13NO4/c1-3-17-12(14)9(2)8-10-4-6-11(7-5-10)13(15)16/h4-8H,3H2,1-2H3/b9-8+
InChI Key:
MMMHCLCYSGLACG-CMDGGOBGSA-N
SMILES:
CCOC(=O)C(=Cc1ccc(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:
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
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