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114364-56-6 | 1,2-Benzenedicarbonitrile, 4,5-bis(dodecyloxy)-
CAS No: 114364-56-6 Catalog No: AG000B6L MDL No:
Product Description
Catalog Number:
AG000B6L
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-bis(dodecyloxy)-
CAS Number:
114364-56-6
Molecular Formula:
C32H52N2O2
Molecular Weight:
496.7675
IUPAC Name:
4,5-didodecoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C32H52N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-31-25-29(27-33)30(28-34)26-32(31)36-24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChI Key:
GPFIBHBLYCONNS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(C#N)c(cc1OCCCCCCCCCCCC)C#N
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.403g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
496.78g/mol
Monoisotopic Mass:
496.403g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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