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89049-14-9 | 3,5-Pyridinedicarbonitrile, 4-(2-hydroxyphenyl)-2,6-bis(4-methylphenyl)-
CAS No: 89049-14-9 Catalog No: AG00420W MDL No:
Product Description
Catalog Number:
AG00420W
Chemical Name:
3,5-Pyridinedicarbonitrile, 4-(2-hydroxyphenyl)-2,6-bis(4-methylphenyl)-
CAS Number:
89049-14-9
Molecular Formula:
C27H19N3O
Molecular Weight:
401.4593
IUPAC Name:
4-(2-hydroxyphenyl)-2,6-bis(4-methylphenyl)pyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C27H19N3O/c1-17-7-11-19(12-8-17)26-22(15-28)25(21-5-3-4-6-24(21)31)23(16-29)27(30-26)20-13-9-18(2)10-14-20/h3-14,31H,1-2H3
InChI Key:
TYEIOQPRBWMFOH-UHFFFAOYSA-N
SMILES:
N#Cc1c(nc(c(c1c1ccccc1O)C#N)c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.153g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
401.469g/mol
Monoisotopic Mass:
401.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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