4,4-Dimethylheptanedioic acid
4,4-dimethylheptanedioic acid
Also Known As: 4,4-Dimethylheptanedioic acid|Dimethylpimelinsaure|Heptanedioic acid, 4,4-dimethyl-|4,4-Dimethylpimelic acid|4,4-Dimethyl-heptandisaeure|J1.392.952A
CAS: 57576-41-7
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10486 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Monoisotopic Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 57576-41-7 |
|---|---|
| SMILES | CC(C)(CCC(=O)O)CCC(=O)O |
| InChIKey | YDUOHBXBLZGANF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (1 patents)
Product Overview
4,4-Dimethylheptanedioic acid (CAS 57576-41-7), with molecular formula C9H16O4 and molecular weight 188.10486 g/mol. IUPAC: 4,4-dimethylheptanedioic 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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