1,2-Benzenedicarboxylic acid, 1-(1-methylheptyl) ester
2-octan-2-yloxycarbonylbenzoic acid
Also Known As: DL-2-Octyl phthalate|(+/-)-Mono-2-octyl phthalate|Mono(1-methylheptyl) phthalate|Maybridge1_005779|2-octan-2-yloxycarbonylbenzoic acid|Mono(1-methylheptyl)phthalate|(1)-2-Octyl hydrogen phthalate|DivK1c_002067|EINECS 269-536-2|-MONO-2-OCTYLPHTHALATE|(+)-MONO(2-OCTYL) PHTHALATE|HMS557O15|(+-)-2-octyl hydrogen phthalate|KST-1B7582|1-METHYLHEPTYL 2-CARBOXYBENZOATE|2-(1-methylheptoxycarbonyl)benzoic acid|CDS1_001027|phthalic acid mono-(1-methyl-heptyl) ester|NCGC00246829-01|1-(1-Methylheptyl) 1,2-benzenedicarboxylate|1,2-Benzenedicarboxylic acid, 1-(1-methylheptyl) ester|2-[octan-2-yloxy(oxo)methyl]benzoic acid|2-{[(Octan-2-yl)oxy]carbonyl}benzoic acid|1,2-benzenedicarboxylic acid,mono(1-methylheptyl) ester|1,2-Benzenedicarboxylic acid, mono(1-methylheptyl) ester
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.1518 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 453.5 |
Chemical Identifiers
| CAS Number | 68296-97-9 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)O |
Product Overview
1,2-Benzenedicarboxylic acid, 1-(1-methylheptyl) ester (CAS 68296-97-9), with molecular formula C16H22O4 and molecular weight 278.1518 g/mol. IUPAC: 2-octan-2-yloxycarbonylbenzoic acid.
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