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833485-59-9 | Acetonitrile, 2,2'-[(2,3-dibenzoyl-1,4-phenylene)bis(oxy)]bis-
CAS No: 833485-59-9 Catalog No: AG004SCP MDL No:
Product Description
Catalog Number:
AG004SCP
Chemical Name:
Acetonitrile, 2,2'-[(2,3-dibenzoyl-1,4-phenylene)bis(oxy)]bis-
CAS Number:
833485-59-9
Molecular Formula:
C24H16N2O4
Molecular Weight:
396.3948
IUPAC Name:
2-[2,3-dibenzoyl-4-(cyanomethoxy)phenoxy]acetonitrile
InChI:
InChI=1S/C24H16N2O4/c25-13-15-29-19-11-12-20(30-16-14-26)22(24(28)18-9-5-2-6-10-18)21(19)23(27)17-7-3-1-4-8-17/h1-12H,15-16H2
InChI Key:
OCQJGVWHBUYOTE-UHFFFAOYSA-N
SMILES:
N#CCOc1ccc(c(c1C(=O)c1ccccc1)C(=O)c1ccccc1)OCC#N
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.111g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.402g/mol
Monoisotopic Mass:
396.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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