Itaconic acid mono-n-butyl ester

• CAS: 6439-57-2
• Catalog Number: ACM6439572
• Category: Other Products
• Molecular Weight: 186.2g/mol
• Molecular Formula: C9H14O4
• Synonyms: ITACONIC ACID MONO-N-BUTYL ESTER;BETA-BUTYL ITACONATE;4-BUTYL METHYLENESUCCINATE;MONO-N-BUTYL ITACONATE;MONO-BUTYL ITACONATE;ITACONIC ACID MONO-N-BUTYL ESTER 90+%;ITACONIC ACID MONOBUTYL ESTER;2-Methylenesuccinic acid 4-butyl ester
• IUPAC Name: 4-butoxy-2-methylidene-4-oxobutanoic acid
• Canonical SMILES: CCCCOC(=O)CC(=C)C(=O)O
• InChI: InChI=1S/C9H14O4/c1-3-4-5-13-8(10)6-7(2)9(11)12/h2-6H2,1H3,(H,11,12)
• InChI Key: VVAAYFMMXYRORI-UHFFFAOYSA-N
• Complexity: 208
• Covalently-Bonded Unit Count: 1
• Exact Mass: 186.089209g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• Heavy Atom Count: 13
• Monoisotopic Mass: 186.089209g/mol
• Rotatable Bond Count: 7
• XLogP3: 1.4