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116453-85-1

116453-85-1 | 1,2-Benzenedicarbonitrile, 3,6-bis(heptyloxy)-

CAS No: 116453-85-1 Catalog No: AG000CJ5 MDL No:

Product Description

Catalog Number:
AG000CJ5
Chemical Name:
1,2-Benzenedicarbonitrile, 3,6-bis(heptyloxy)-
CAS Number:
116453-85-1
Molecular Formula:
C22H32N2O2
Molecular Weight:
356.5017
IUPAC Name:
3,6-diheptoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C22H32N2O2/c1-3-5-7-9-11-15-25-21-13-14-22(20(18-24)19(21)17-23)26-16-12-10-8-6-4-2/h13-14H,3-12,15-16H2,1-2H3
InChI Key:
MWWWSCBMIMDNLU-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(c(c1C#N)C#N)OCCCCCCC

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.246g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.51g/mol
Monoisotopic Mass:
356.246g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  

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