2-Butylbenzene-1,3-dicarboxylic acid
2-butylbenzene-1,3-dicarboxylic acid
Also Known As: 2-Butylisophthalic acid|2-butylbenzene-1,3-dicarboxylic acid|2-n-butylisophthalic acid|2-n-Butylisophthalsaeure|2-Butyl-isophthalic acid|Oprea1_014577|Oprea1_712224|CBDivE_002962|2-Butyl-1,3-benzenedicarboxylic acid|BAS 00529404|1,3-Benzenedicarboxylic acid, 2-butyl-|J1.186.881I
CAS: 5293-56-1
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.0892 g/mol |
| LogP | 2.4256 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Monoisotopic Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 377.22983 |
Chemical Identifiers
| CAS Number | 5293-56-1 |
|---|---|
| SMILES | CCCCC1=C(C=CC=C1C(=O)O)C(=O)O |
Product Overview
2-Butylbenzene-1,3-dicarboxylic acid (CAS 5293-56-1), with molecular formula C12H14O4 and molecular weight 222.0892 g/mol. IUPAC: 2-butylbenzene-1,3-dicarboxylic 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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