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130107-88-9 | 1,2-Benzenedicarbonitrile, 3-[(2-ethylhexyl)oxy]-
CAS No: 130107-88-9 Catalog No: AG000U0I MDL No:
Product Description
Catalog Number:
AG000U0I
Chemical Name:
1,2-Benzenedicarbonitrile, 3-[(2-ethylhexyl)oxy]-
CAS Number:
130107-88-9
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
3-(2-ethylhexoxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C16H20N2O/c1-3-5-7-13(4-2)12-19-16-9-6-8-14(10-17)15(16)11-18/h6,8-9,13H,3-5,7,12H2,1-2H3
InChI Key:
KXCJTHFYKNTDHM-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cccc(c1C#N)C#N)CC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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