RefChem:1064554

(E)-3-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid

Also Known As: (E)-4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid|533U-83|2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-|(E)-3-(4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-2-propenoic acid|(E)-3-[4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl]prop-2-enoic acid|(E)-4-(1,2,3,6-tetrahydro-1,3,-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid|(E)-4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl) cinnamic acid|4-[(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin)-8-yl]cinnamic acid|(2E)-3-[4-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)phenyl]prop-2-enoic acid

Molecular Formula	C16H14N4O4
Molecular Weight	326.1015 g/mol
LogP	0.7251
Topological Polar Surface Area	109.98 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	326.1015
Monoisotopic Mass	326.1015
Heavy Atoms	24
Complexity	1084.1934

Chemical Identifiers

CAS Number	106465-41-2
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O