3,5-Pyridinedicarboxylic Acid
[CAS# 102106-08-1]

Identification

• Name: 3,5-Pyridinedicarboxylic Acid
• Synonyms: 2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O5-Methyl O3-[(Z)-3-Phenylprop-2-Enyl] Ester; 3,5-Pyridinedicarboxylic Acid, 1,4-Dihydro-2,6-Dimethyl-4-(3-Nitrophenyl)-, Methyl 3-Phenyl-2-Propenyl Ester, (Z)-; Cis-Cinnamyl Methyl 4-(3-Nitrophenyl)-2,6-Dimethyl-1,4-Dihydropyridine-3,5-Dicarboxylate
• Molecular Formula: C₂₅H₂₄N₂O₆
• Molecular Weight: 448.47
• CAS Registry Number: 102106-08-1
• SMILES: C1=C([N+]([O-])=O)C=CC=C1C2C(=C(NC(=C2C(OC)=O)C)C)C(OC\C=C/C3=CC=CC=C3)=O
• InChI: 1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8-
• InChIKey: XTFPDGZNWTZCMF-FLIBITNWSA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 618.943°C at 760 mmHg (Cal.)
• Flash point: 328.125°C (Cal.)