RefChem:71501

benzene-1,3,5-tricarboxylic acid;3-(2-phenylimidazol-1-yl)propanenitrile

Also Known As: EINECS 268-383-9|1-Cyanoethyl-2-phenylimidazoletrimellitate (1:1)|1,2,4-Benzenetricarboxylic acid, compd. with 2-phenyl-1H-imidazole-1-propanenitrile (1:1)|Trimellitic acid 1-cyanoethyl-2-phenylimidazole salt (1:1)|benzene-1,3,5-tricarboxylic acid- 3-(2-phenyl-1h-imidazol-1-yl)propanenitrile(1:1)|benzene-1,3,5-tricarboxylic acid; 3-(2-phenylimidazol-1-yl)propanenitrile|Benzene-1,3,5-tricarboxylic acid--3-(2-phenyl-1H-imidazol-1-yl)propanenitrile (1/1)|Benzene-1,2,4-tricarboxylic acid, compound with 2-phenyl-1H-imidazole-1-propiononitrile (1:1)

Molecular Formula	C21H17N3O6
Molecular Weight	407.11172 g/mol
LogP	3.24
Topological Polar Surface Area	153.51 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	407.11172
Heavy Atoms	30
Complexity	1020.4

Chemical Identifiers

CAS Number	68083-35-2
SMILES	C1=CC=C(C=C1)C2=NC=CN2CCC#N.C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O