dibutyl but-2-enedioate structure

dibutyl but-2-enedioate

dibutyl but-2-enedioate

CAS: 82807-35-0
Molecular Formula C12H20O4
Molecular Weight 228.28 g/mol
LogP 2.7
Topological Polar Surface Area 52.6 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 10
Exact Mass 228.13615
Heavy Atoms 16
Complexity 209.0

Chemical Identifiers

CAS Number 82807-35-0
SMILES CCCCOC(=O)C=CC(=O)OCCCC
InChIKey JBSLOWBPDRZSMB-UHFFFAOYSA-N

📖 Product Overview

dibutyl but-2-enedioate (CAS: 82807-35-0) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.28 g/mol. Its IUPAC systematic name is dibutyl but-2-enedioate. LogP 2.7 Topological Polar Surface Area 52.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 228.13615 Heavy Atoms 16 Complexity 209.0 InChI Key: JBSLOWBPDRZSMB-UHFFFAOYSA-N. SMILES: CCCCOC(=O)C=CC(=O)OCCCC.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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