Oct-2-enedioic acid
oct-2-enedioic acid
Also Known As: 2-Octenedioic acid|Octenedioic acid|oct-2-enedioic acid|(E)-oct-2-enedioic acid
CAS: 5698-50-0
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07356 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.07356 |
| Monoisotopic Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 5698-50-0 |
|---|---|
| SMILES | C(CCC(=O)O)CC=CC(=O)O |
| InChIKey | BNTPVRGYUHJFHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (1 patents)
Organic Building Blocks (1 patents)
Peptides & Amino Acids (1 patents)
Pharmaceutical Intermediates (1 patents)
Polymer Intermediates (23 patents)
Product Overview
Oct-2-enedioic acid (CAS 5698-50-0), with molecular formula C8H12O4 and molecular weight 172.07356 g/mol. IUPAC: oct-2-enedioic acid.
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.
View MSDS →
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