1,3-Benzenedibutanoic acid
4-[3-(3-carboxypropyl)phenyl]butanoic acid
Also Known As: 1,3-Benzenedibutanoic acid|starbld0044743|Phenylbutyrate Impurity 9|4,4'-(1,3-Phenylene)dibutanoic acid|4-[3-(3-carboxypropyl)phenyl]butanoic Acid|Benzene-1,3-dibutanoic acid|4,4 -(1,3-Phenylene)bisbutyric acid|4,4'-(benzene-1,3-diyl)dibutanoic acid|J1.542.550D|4-[3-(4-hydroxy-4-oxobutyl)phenyl]butanoic acid|A1-32986
CAS: 54698-75-8
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12051 g/mol |
| LogP | 2.5012 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.12051 |
| Monoisotopic Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 376.75995 |
Chemical Identifiers
| CAS Number | 54698-75-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CCCC(=O)O)CCCC(=O)O |
Product Overview
1,3-Benzenedibutanoic acid (CAS 54698-75-8), with molecular formula C14H18O4 and molecular weight 250.12051 g/mol. IUPAC: 4-[3-(3-carboxypropyl)phenyl]butanoic 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.
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