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138224-74-5 | 1,2-Benzenedicarbonitrile, 3-[3-methyl-1-(2-methylpropyl)butoxy]-
CAS No: 138224-74-5 Catalog No: AG0018CB MDL No:
Product Description
Catalog Number:
AG0018CB
Chemical Name:
1,2-Benzenedicarbonitrile, 3-[3-methyl-1-(2-methylpropyl)butoxy]-
CAS Number:
138224-74-5
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
3-(2,6-dimethylheptan-4-yloxy)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C17H22N2O/c1-12(2)8-15(9-13(3)4)20-17-7-5-6-14(10-18)16(17)11-19/h5-7,12-13,15H,8-9H2,1-4H3
InChI Key:
XNFIFMHRJINAHH-UHFFFAOYSA-N
SMILES:
CC(CC(Oc1cccc(c1C#N)C#N)CC(C)C)C
Properties
Complexity:
374
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:
6
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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