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| CAS No.: | 32073-22-6 |
|---|---|
| Name: | Sodium 4-propan-2-ylbenzenesulfonate |
| Molecular Structure: | |
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| Formula: | C9H11NaO3S |
| Molecular Weight: | 222.23700 |
| Synonyms: | Benzene,(1-methylethyl)-, monosulfo deriv., sodium salt (9CI);Cumenesulfonic acid,sodium salt (7CI,8CI);Cyclophil SCS40; |
| EINECS: | 250-913-5 |
| PSA: | 65.58000 |
| LogP: | 2.79490 |
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Specification
The Sodium 4-propan-2-ylbenzenesulfonate with its cas register number is 32073-22-6. It also can be called as Benzene, (1-methylethyl)-, monosulfo deriv., sodium salt and the IUPAC Name about this chemical is sodium 2-propan-2-ylbenzenesulfonate.
Physical properties about Sodium 4-propan-2-ylbenzenesulfonate are: (1) H-Bond Acceptor: 3; (2)Rotatable Bond Count: 2; (3)Exact Mass: 222.03266; (4)MonoIsotopic Mass: 222.03266; (5)Topological Polar Surface Area: 65.6; (6)Heavy Atom Count: 14; (7)Complexity: 256; (8)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]
(2)InChI: InChI=1S/C9H12O3S.Na/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);/q;+1/p-1
(3)InChIKey: GIPRGFRQMWSHAK-UHFFFAOYSA-M