3-Methylhexa-2,4-dienedioic acid
3-methylhexa-2,4-dienedioic acid
Also Known As: 3-methylhexa-2,4-dienedioic acid|2,4-Hexadienedioicacid,3-methyl|2,4-Hexadienedioicacid, 3-methyl-|2,4-Hexadienedioic acid, 3-methyl-, (2Z,4Z)-
CAS: 76799-85-4
| Molecular Formula | C7H8O4 |
|---|---|
| Molecular Weight | 156.04225 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.04225 |
| Monoisotopic Mass | 156.04225 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 76799-85-4 |
|---|---|
| SMILES | CC(=CC(=O)O)C=CC(=O)O |
| InChIKey | LEQDZBVDPGNGMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Analytical Reagents (2 patents)
Biotechnology (1 patents)
Heterocyclic Building Blocks (19 patents)
Organic Building Blocks (11 patents)
Pharmaceutical Intermediates (13 patents)
Product Overview
3-Methylhexa-2,4-dienedioic acid (CAS 76799-85-4), with molecular formula C7H8O4 and molecular weight 156.04225 g/mol. IUPAC: 3-methylhexa-2,4-dienedioic 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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