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116453-89-5 | 2,3-Naphthalenedicarbonitrile, 1,4-dibutoxy-
CAS No: 116453-89-5 Catalog No: AG000CJ2 MDL No:
Product Description
Catalog Number:
AG000CJ2
Chemical Name:
2,3-Naphthalenedicarbonitrile, 1,4-dibutoxy-
CAS Number:
116453-89-5
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
1,4-dibutoxynaphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C20H22N2O2/c1-3-5-11-23-19-15-9-7-8-10-16(15)20(24-12-6-4-2)18(14-22)17(19)13-21/h7-10H,3-6,11-12H2,1-2H3
InChI Key:
YXJSABMTZAXNKC-UHFFFAOYSA-N
SMILES:
CCCCOc1c(C#N)c(C#N)c(c2c1cccc2)OCCCC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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