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116453-87-3 | 1,2-Benzenedicarbonitrile, 3,6-dipropoxy-
CAS No: 116453-87-3 Catalog No: AG000CJ4 MDL No:
Product Description
Catalog Number:
AG000CJ4
Chemical Name:
1,2-Benzenedicarbonitrile, 3,6-dipropoxy-
CAS Number:
116453-87-3
Molecular Formula:
C14H16N2O2
Molecular Weight:
244.2890
IUPAC Name:
3,6-dipropoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C14H16N2O2/c1-3-7-17-13-5-6-14(18-8-4-2)12(10-16)11(13)9-15/h5-6H,3-4,7-8H2,1-2H3
InChI Key:
YLIODFVRZQOKPF-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C#N)C#N)OCCC
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.294g/mol
Monoisotopic Mass:
244.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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