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Home > Nitro Compounds > 67821-33-4
67821-33-4 | Propanedinitrile, ((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-
CAS No: 67821-33-4 Catalog No: AG005PON MDL No:
Product Description
Catalog Number:
AG005PON
Chemical Name:
Propanedinitrile, ((4-((4-nitrobenzoyl)oxy)phenyl)methylene)-
CAS Number:
67821-33-4
Molecular Formula:
C17H9N3O4
Molecular Weight:
319.2711
IUPAC Name:
[4-(2,2-dicyanoethenyl)phenyl] 4-nitrobenzoate
InChI:
InChI=1S/C17H9N3O4/c18-10-13(11-19)9-12-1-7-16(8-2-12)24-17(21)14-3-5-15(6-4-14)20(22)23/h1-9H
InChI Key:
ONQHEUFDNICPMX-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C#N
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.059g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.276g/mol
Monoisotopic Mass:
319.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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