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89482-97-3 | Propanedinitrile, [(2,4-dimethylphenyl)phenylmethylene]-
CAS No: 89482-97-3 Catalog No: AG0041MA MDL No:
Product Description
Catalog Number:
AG0041MA
Chemical Name:
Propanedinitrile, [(2,4-dimethylphenyl)phenylmethylene]-
CAS Number:
89482-97-3
Molecular Formula:
C18H14N2
Molecular Weight:
258.3172
IUPAC Name:
2-[(2,4-dimethylphenyl)-phenylmethylidene]propanedinitrile
InChI:
InChI=1S/C18H14N2/c1-13-8-9-17(14(2)10-13)18(16(11-19)12-20)15-6-4-3-5-7-15/h3-10H,1-2H3
InChI Key:
QYCWPOLBNNDWDY-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1ccc(cc1C)C)c1ccccc1)C#N
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.324g/mol
Monoisotopic Mass:
258.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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