2-SULFOETHYL METHACRYLATE, SODIUM SALT
General Information
| Mainterm | 2-SULFOETHYL METHACRYLATE, SODIUM SALT |
| CAS Reg.No.(or other ID) | 1804-87-1 |
| Regnum |
175.300 175.320 176.170 177.1630 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 23678855 |
| IUPAC Name | sodium;2-(2-methylprop-2-enoyloxy)ethanesulfonate |
| InChI | InChI=1S/C6H10O5S.Na/c1-5(2)6(7)11-3-4-12(8,9)10;/h1,3-4H2,2H3,(H,8,9,10);/q;+1/p-1 |
| InChI Key | DEWNCLAWVNEDHG-UHFFFAOYSA-M |
| Canonical SMILES | CC(=C)C(=O)OCCS(=O)(=O)[O-].[Na+] |
| Molecular Formula | C6H9NaO5S |
| Wikipedia | sodium 2-sulfoethyl methacrylate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 216.183 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Complexity | 276.0 |
| CACTVS Substructure Key Fingerprint | A A A D c c B g O C B A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g Q A A A A A D A C k w A K C C A A A B A K I A g D S C H B A A A A A A A A A A A E A A E A A B A A A I Q A C A A A A A A A A I I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 91.9 |
| Monoisotopic Mass | 216.007 |
| Exact Mass | 216.007 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 2 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acids |
| Alternative Parents | |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic salt - Organic cation - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
From ClassyFire