Diethyl maleate

• Catalog Number: ACM141059-2
• Product Name: Diethyl maleate
• CAS: 141-05-9
• Category: Heterocyclic Organic Compound
• Description: Liquid;Liquid
• Synonyms: Maleic acid diethyl ester
• IUPAC Name: Diethyl (Z)-but-2-enedioate
• Molecular Weight: 172.18
• Molecular Formula: C8H12O4
• Canonical SMILES: CCOC(=O)C=CC(=O)OCC
• InChI: InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5-
• InChI Key: IEPRKVQEAMIZSS-WAYWQWQTSA-N
• Boiling Point: 225 °C
• Melting Point: -10 °C
• Flash Point: 200 °F
• Density: 1.064 g/mL
• Solubility: 0.08 M
• Complexity: 164
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• EC Number: 205-451-9;615-281-0
• Exact Mass: 172.07355886
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCOC(=O)/C=C\C(=O)OCC
• Isotope Atom Count: 0
• Monoisotopic Mass: 172.07355886
• NSC Number: 8394
• Physical State: Liquid
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: G81WQB56OL
• Vapor Pressure: 0.11 mmHg
• XLogP3: 0.9