Fumaric acid monoethyl ester

• CAS: 2459-05-4
• Catalog Number: ACM2459054
• Category: Other Products
• Molecular Weight: 144.12g/mol
• Molecular Formula: C6H8O4
• IUPAC Name: (E)-4-ethoxy-4-oxobut-2-enoic acid
• Canonical SMILES: CCOC(=O)C=CC(=O)O
• InChI: InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3+
• InChI Key: XLYMOEINVGRTEX-ONEGZZNKSA-N
• Complexity: 159
• Covalently-Bonded Unit Count: 1
• EC Number: 219-544-7
• Exact Mass: 144.042259g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 10
• Monoisotopic Mass: 144.042259g/mol
• NSC Number: 244252
• Rotatable Bond Count: 4
• UNII: Y3W849NG2N
• XLogP3: 0.2