HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,4-Dimethylheptanedioic acid
NSC 210 · 4,4-Dimethylpimelic acid · 4,4-Dimethylheptanedioic acid
Identifiers & Physical Properties
| CAS No. | 5325-75-7 |
|---|---|
| Molecular formula | C9H16O4 |
| Average molar mass | 188.22 g/mol |
| Monoisotopic mass | 188.10485899 g/mol |
| SMILES | CC(C)(CCC(=O)O)CCC(=O)O |
| InChIKey | YDUOHBXBLZGANF-UHFFFAOYSA-N |
| PubChem CID | 219213 |
| DTXSID | DTXSID40201357 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 74.6 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 6 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 176 |
| FDA UNII | 05PE073YFV |