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113446-75-6 | Propanedinitrile, 2,2',2'',2'''-(1,4,5,8-anthracenetetraylidene)tetrakis-
CAS No: 113446-75-6 Catalog No: AG0008N3 MDL No:
Product Description
Catalog Number:
AG0008N3
Chemical Name:
Propanedinitrile, 2,2',2'',2'''-(1,4,5,8-anthracenetetraylidene)tetrakis-
CAS Number:
113446-75-6
Molecular Formula:
C26H6N8
Molecular Weight:
430.3794
IUPAC Name:
2-[4,5,8-tris(dicyanomethylidene)anthracen-1-ylidene]propanedinitrile
InChI:
InChI=1S/C26H6N8/c27-7-15(8-28)19-1-2-20(16(9-29)10-30)24-6-26-22(18(13-33)14-34)4-3-21(17(11-31)12-32)25(26)5-23(19)24/h1-6H
InChI Key:
HVDFMCUYENBBOJ-UHFFFAOYSA-N
SMILES:
N#CC(=c1ccc(=C(C#N)C#N)c2c1cc1c(=C(C#N)C#N)ccc(=C(C#N)C#N)c1c2)C#N
Properties
Complexity:
1290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.072g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.39g/mol
Monoisotopic Mass:
430.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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