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Home > Nitro Compounds > 21320-81-0
21320-81-0 | (Z)-ethyl 3-(4-nitrophenyl)-3-phenylacrylate
CAS No: 21320-81-0 Catalog No: AG01DJBP MDL No:MFCD09833854
Product Description
Catalog Number:
AG01DJBP
Chemical Name:
(Z)-ethyl 3-(4-nitrophenyl)-3-phenylacrylate
CAS Number:
21320-81-0
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
MDL Number:
MFCD09833854
IUPAC Name:
ethyl 3-(4-nitrophenyl)-3-phenylprop-2-enoate
InChI:
InChI=1S/C17H15NO4/c1-2-22-17(19)12-16(13-6-4-3-5-7-13)14-8-10-15(11-9-14)18(20)21/h3-12H,2H2,1H3
InChI Key:
XEKGHLBHNMAJKY-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(/c1ccccc1)\c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.31g/mol
Monoisotopic Mass:
297.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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