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Home > Nitro Compounds > 88783-75-9
88783-75-9 | Propanedinitrile, [1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]-
CAS No: 88783-75-9 Catalog No: AG004AXH MDL No:
Product Description
Catalog Number:
AG004AXH
Chemical Name:
Propanedinitrile, [1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]-
CAS Number:
88783-75-9
Molecular Formula:
C18H13N3O3
Molecular Weight:
319.3141
IUPAC Name:
2-[1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]propanedinitrile
InChI:
InChI=1S/C18H13N3O3/c19-11-15(12-20)17(10-18(22)14-4-2-1-3-5-14)13-6-8-16(9-7-13)21(23)24/h1-9,15,17H,10H2
InChI Key:
VQBZNGYQYYXIDW-UHFFFAOYSA-N
SMILES:
N#CC(C(c1ccc(cc1)[N+](=O)[O-])CC(=O)c1ccccc1)C#N
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.32g/mol
Monoisotopic Mass:
319.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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