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Home > Nitro Compounds > 39059-88-6
39059-88-6 | (2E)-3-(2-ethoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 39059-88-6 Catalog No: AG00JU20 MDL No:MFCD00024733
Product Description
Catalog Number:
AG00JU20
Chemical Name:
(2E)-3-(2-ethoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
39059-88-6
Molecular Formula:
C17H15NO4
Molecular Weight:
297.3053
MDL Number:
MFCD00024733
IUPAC Name:
3-(2-ethoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H15NO4/c1-2-22-17-6-4-3-5-14(17)9-12-16(19)13-7-10-15(11-8-13)18(20)21/h3-12H,2H2,1H3
InChI Key:
LKXKHDLNJYFBPH-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1/C=C/C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
407
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:
3.9
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