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116453-88-4 | 2,3-Naphthalenedicarbonitrile, 1,4-bis(octyloxy)-
CAS No: 116453-88-4 Catalog No: AG000CJ3 MDL No:
Product Description
Catalog Number:
AG000CJ3
Chemical Name:
2,3-Naphthalenedicarbonitrile, 1,4-bis(octyloxy)-
CAS Number:
116453-88-4
Molecular Formula:
C28H38N2O2
Molecular Weight:
434.6135
IUPAC Name:
1,4-dioctoxynaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C28H38N2O2/c1-3-5-7-9-11-15-19-31-27-23-17-13-14-18-24(23)28(26(22-30)25(27)21-29)32-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3
InChI Key:
NGIVSQMLYSSRMK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1c(C#N)c(C#N)c(c2c1cccc2)OCCCCCCCC
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.293g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.624g/mol
Monoisotopic Mass:
434.293g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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