p-Anisic acid, neopentyl ester
2,2-dimethylpropyl 4-methoxybenzoate
Also Known As: p-Anisic acid, neopentyl ester|p-Anisic acid neopentyl ester|Neopentyl 4-methoxybenzoate #|2,2-dimethylpropyl 4-methoxybenzoate|4-Methoxybenzoic acid, 2,2-dimethylpropyl ester
CAS: 3581-72-4
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.1256 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Monoisotopic Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 3581-72-4 |
|---|---|
| SMILES | CC(C)(C)COC(=O)C1=CC=C(C=C1)OC |
| InChIKey | LJNIFDFCWAKMHD-UHFFFAOYSA-N |
Product Overview
p-Anisic acid, neopentyl ester (CAS 3581-72-4), with molecular formula C13H18O3 and molecular weight 222.1256 g/mol. IUPAC: 2,2-dimethylpropyl 4-methoxybenzoate.
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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