ACETIC ACID, (4-BUTOXY-m-TOLYL)-
2-(4-butoxy-3-methylphenyl)acetic acid
CAS: 4547-59-5
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.28 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4547-59-5 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)CC(=O)O)C |
| InChIKey | BRBTWQMWSVOGOW-UHFFFAOYSA-N |
📖 Product Overview
ACETIC ACID, (4-BUTOXY-m-TOLYL)- (CAS: 4547-59-5) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.28 g/mol. Its IUPAC systematic name is 2-(4-butoxy-3-methylphenyl)acetic acid.
BRBTWQMWSVOGOW-UHFFFAOYSA-N.
SMILES: CCCCOC1=C(C=C(C=C1)CC(=O)O)C.
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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