3,6-Dimethyl-3-phenylheptanoic acid
3,6-dimethyl-3-phenylheptanoic acid
CAS: 101913-71-7
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.33 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 37.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 101913-71-7 |
|---|---|
| SMILES | CC(C)CCC(C)(CC(=O)O)C1=CC=CC=C1 |
| InChIKey | YIHLJIOCTULOLG-UHFFFAOYSA-N |
📖 Product Overview
3,6-Dimethyl-3-phenylheptanoic acid (CAS: 101913-71-7) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.33 g/mol. Its IUPAC systematic name is 3,6-dimethyl-3-phenylheptanoic acid.
YIHLJIOCTULOLG-UHFFFAOYSA-N.
SMILES: CC(C)CCC(C)(CC(=O)O)C1=CC=CC=C1.
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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📚 Academic Support
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