(E)-4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid

Base Information

• Chemical Name: (E)-4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid
• CAS No.: 106465-41-2
• Molecular Formula: C16H14 N4 O4
• Molecular Weight: 326.3068
• Nikkaji Number: J443.109J
• Wikidata: Q76388823
• Mol file: 106465-41-2.mol

Synonyms:(E)-4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid;(E)-3-(4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-2-propenoic acid;2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)phenyl)-, (E)-;106465-41-2;SCHEMBL6554060;SCHEMBL6554063;BLTGSBVSJOCCTK-VMPITWQZSA-N;LS-123764;533U-83;(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

Chemical Property of (E)-4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)cinnamic acid

Chemical Property:

• Vapor Pressure: 1.57E-17mmHg at 25°C
• Boiling Point: 645.2°C at 760 mmHg
• Flash Point: 344°C
• Density: 1.458g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 326.10150494
• Heavy Atom Count: 24
• Complexity: 570

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C=CC(=O)O
• Isomeric SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)/C=C/C(=O)O