Dimethyl suberate

• CAS: 1732-09-8
• Catalog Number: ACM1732098-2
• Category: Other Products
• Molecular Weight: 202.25
• Molecular Formula: C10H18O4
• Synonyms: Octanedioic acid, dimethyl ester
• IUPAC Name: Dimethyl octanedioate
• Canonical SMILES: COC(=O)CCCCCCC(=O)OC
• InChI: InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
• InChI Key: LNLCRJXCNQABMV-UHFFFAOYSA-N
• Boiling Point: 268 °C
• Melting Point: −1.6 °C
• Flash Point: >230 °F
• Density: 1.014 g/mL
• Complexity: 157
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 217-059-5
• Exact Mass: 202.12050905
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 202.12050905
• Physical State: Liquid
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 1.9