4-(3-Methylpentan-3-yl)benzoic acid
4-(3-methylpentan-3-yl)benzoic acid
Also Known As: 4-(3-methylpentan-3-yl)benzoic acid|1,4-Dioxane, 2,2,3,3,5,5,6-heptachloro-
CAS: 6629-99-8
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13068 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.13068 |
| Monoisotopic Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 6629-99-8 |
|---|---|
| SMILES | CCC(C)(CC)C1=CC=C(C=C1)C(=O)O |
| InChIKey | DMUPDNJSENXBTD-UHFFFAOYSA-N |
Product Overview
4-(3-Methylpentan-3-yl)benzoic acid (CAS 6629-99-8), with molecular formula C13H18O2 and molecular weight 206.13068 g/mol. IUPAC: 4-(3-methylpentan-3-yl)benzoic 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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