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Home > Nitro Compounds > 1025224-57-0
1025224-57-0 | (2E,4E)-2-[(E,E)-benzoyl]-5-(2-nitrophenyl)penta-2,4-dienenitrile
CAS No: 1025224-57-0 Catalog No: AG00IXCC MDL No:MFCD01567422
Product Description
Catalog Number:
AG00IXCC
Chemical Name:
(2E,4E)-2-[(E,E)-benzoyl]-5-(2-nitrophenyl)penta-2,4-dienenitrile
CAS Number:
1025224-57-0
Molecular Formula:
C18H12N2O3
Molecular Weight:
304.2995
MDL Number:
MFCD01567422
IUPAC Name:
2-benzoyl-5-(2-nitrophenyl)penta-2,4-dienenitrile
InChI:
InChI=1S/C18H12N2O3/c19-13-16(18(21)15-8-2-1-3-9-15)11-6-10-14-7-4-5-12-17(14)20(22)23/h1-12H
InChI Key:
IOLBPLLWDJBTJM-UHFFFAOYSA-N
SMILES:
N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/C(=O)c1ccccc1
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.305g/mol
Monoisotopic Mass:
304.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.1
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