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Home > Nitro Compounds > 125369-76-8
125369-76-8 | Benzeneacetonitrile, 4-methyl-α-[3-(2-nitrophenyl)-2-propen-1-ylidene]-
CAS No: 125369-76-8 Catalog No: AG000NKJ MDL No:
Product Description
Catalog Number:
AG000NKJ
Chemical Name:
Benzeneacetonitrile, 4-methyl-α-[3-(2-nitrophenyl)-2-propen-1-ylidene]-
CAS Number:
125369-76-8
Molecular Formula:
C18H14N2O2
Molecular Weight:
290.3160
IUPAC Name:
2-(4-methylphenyl)-5-(2-nitrophenyl)penta-2,4-dienenitrile
InChI:
InChI=1S/C18H14N2O2/c1-14-9-11-15(12-10-14)17(13-19)7-4-6-16-5-2-3-8-18(16)20(21)22/h2-12H,1H3
InChI Key:
UPYKHGUZZKOQBB-UHFFFAOYSA-N
SMILES:
N#CC(=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(cc1)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.322g/mol
Monoisotopic Mass:
290.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.5
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