L2402466Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Specifications & Purity | ≥98% |
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Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Arylsulfonic acids and derivatives - Arylsufonic acids |
| Direct Parent | 1-sulfo,2-unsubstituted aromatic compounds |
| Alternative Parents | Methylpyridines Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1-sulfo,2-unsubstituted aromatic compound - Methylpyridine - Pyridine - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-sulfo,2-unsubstituted aromatic compounds. These are an arylsulfonic acid carrying the sulfonic acid group at the 1-position, and no substitute at the 2-position of the aromatic ring. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 5-methylpyridine-3-sulfonic acid |
|---|---|
| INCHI | InChI=1S/C6H7NO3S/c1-5-2-6(4-7-3-5)11(8,9)10/h2-4H,1H3,(H,8,9,10) |
| InChIKey | GHCQNEIFBBBMQB-UHFFFAOYSA-N |
| Smiles | CC1=CC(=CN=C1)S(=O)(=O)O |
| Isomeric SMILES | CC1=CC(=CN=C1)S(=O)(=O)O |
| PubChem CID | 2762464 |
| Molecular Weight | 173.19 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 173.190 g/mol |
|---|---|
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 173.015 Da |
| Monoisotopic Mass | 173.015 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 218.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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