Dodecylbenzenesulfonic acid
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CAS Number 27176-87-0
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Catalog Number io-2303
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Classification Acids
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Molecular Weight 326.5000
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SMILES CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O
| Size | QTY | Notes | |
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2-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group. It has a role as an animal metabolite.
| 1 | 2-DODECYLBENZENESULFONIC ACID |
| 2 | Dodecylbenzenesulphonic acid |
| 3 | DODECYL BENZENE SULFONIC ACID |
| 4 | o-dodecylbenzenesulfonic acid |
| 5 | Dodecylbenzene sulfonic acid |
| Molecular Formula | C18H30O3S |
|---|---|
| Canonical SMILES | CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O |
| Isomeric SMILES | CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O |
| Molecular Weight | 326.5000 |
| InChIKey | WBIQQQGBSDOWNP-UHFFFAOYSA-N |
| InChI | InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21) |
| XLogP | 6.9000 |
| ExactMass | 326.1916 |
| MonoisotopicMass | 326.1916 |
| TPSA | 62.8000 |
| Complexity | 359.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 12 |
| HeavyAtomCount | 22 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 53475 |
| PatentFamilyCount | 21279 |
| LiteratureCount | 1270 |
