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1675-71-4 | 1,4-Benzenediacetonitrile, 2,3,5,6-tetramethyl-
CAS No: 1675-71-4 Catalog No: AG001XFS MDL No:
Product Description
Catalog Number:
AG001XFS
Chemical Name:
1,4-Benzenediacetonitrile, 2,3,5,6-tetramethyl-
CAS Number:
1675-71-4
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile
InChI:
InChI=1S/C14H16N2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-6H2,1-4H3
InChI Key:
CDHFCWXYLKPCJG-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)c(C)c(c(c1C)C)CC#N
NSC Number:
158278
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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