Furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

Base Information

• Chemical Name: Furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione
• CAS No.: 84650-00-0
• Molecular Weight: 0
• European Community (EC) Number: 283-481-1,935-436-9
• Mol file: 84650-00-0.mol

Synonyms:84650-00-0;furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione;LS-2498;Coffee, Coffea arabica, ext;EINECS 283-481-1

Chemical Property of Furan;1-methylpyridin-1-ium-3-carboxylate;pyridine-3-carboxylic acid;1,3,7-trimethyl-4,5-dihydropurine-2,6-dione

Chemical Property:

• Flash Point: 34℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 524.20194725
• Heavy Atom Count: 38
• Complexity: 594

Purity/Quality:

99%, ^*data from raw suppliers

Coffee oil ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10

MSDS Files:

Useful:

• Canonical SMILES: CN1C=NC2C1C(=O)N(C(=O)N2C)C.C[N+]1=CC=CC(=C1)C(=O)[O-].C1=COC=C1.C1=CC(=CN=C1)C(=O)O