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3055-91-2 | Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- (9CI)
CAS No: 3055-91-2 Catalog No: AG0030J5 MDL No:
Product Description
Catalog Number:
AG0030J5
Chemical Name:
Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- (9CI)
CAS Number:
3055-91-2
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
IUPAC Name:
3-[4-(2-cyanoethoxy)phenoxy]propanenitrile
InChI:
InChI=1S/C12H12N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,9-10H2
InChI Key:
OPQLPLKJQFYQHD-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)OCCC#N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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