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139444-25-0 | 2,3-Naphthalenedicarbonitrile, 1,4-bis(2-methoxyethoxy)-
CAS No: 139444-25-0 Catalog No: AG001B17 MDL No:
Product Description
Catalog Number:
AG001B17
Chemical Name:
2,3-Naphthalenedicarbonitrile, 1,4-bis(2-methoxyethoxy)-
CAS Number:
139444-25-0
Molecular Formula:
C18H18N2O4
Molecular Weight:
326.3465
IUPAC Name:
1,4-bis(2-methoxyethoxy)naphthalene-2,3-dicarbonitrile
InChI:
InChI=1S/C18H18N2O4/c1-21-7-9-23-17-13-5-3-4-6-14(13)18(24-10-8-22-2)16(12-20)15(17)11-19/h3-6H,7-10H2,1-2H3
InChI Key:
QLJNECNAIYIBON-UHFFFAOYSA-N
SMILES:
COCCOc1c(C#N)c(C#N)c(c2c1cccc2)OCCOC
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.352g/mol
Monoisotopic Mass:
326.127g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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