Citraconic Acid

• CAS: 498-23-7
• Catalog Number: ACM498237
• Category: Other Products
• Molecular Weight: 130.1
• Molecular Formula: C5H6O4
• Synonyms: (2Z)-2-Methyl-2-butenedioic acid
• IUPAC Name: (Z)-2-Methylbut-2-enedioic acid
• Canonical SMILES: CC(=CC(=O)O)C(=O)O
• InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
• InChI Key: HNEGQIOMVPPMNR-IHWYPQMZSA-N
• Boiling Point: 160.75 °C
• Melting Point: 88-94 °C(lit.)
• Density: 1.62 g/cm³
• Solubility: Freely soluble in water
• Appearance: Crystalline powder
• Storage: Hygroscopic, -20 °C freezer, under inert atmosphere
• Complexity: 168
• Exact Mass: 130.02660867
• Isomeric SMILES: C/C(=C/C(=O)O)/C(=O)O
• Monoisotopic Mass: 130.02660867
• Refractive Index: 1.4502
• Topological Polar Surface Area: 74.6 Ų