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197844-20-5 | 1,2-Benzenedicarbonitrile, 4-(nonyloxy)-
CAS No: 197844-20-5 Catalog No: AG002B46 MDL No:
Product Description
Catalog Number:
AG002B46
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(nonyloxy)-
CAS Number:
197844-20-5
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
4-nonoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C17H22N2O/c1-2-3-4-5-6-7-8-11-20-17-10-9-15(13-18)16(12-17)14-19/h9-10,12H,2-8,11H2,1H3
InChI Key:
YHOVZZYQHWNJFX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(c(c1)C#N)C#N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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