5-Methylpyridine-3-sulfonic acid - CAS 4808-70-2
Catalog: |
BB053796 |
Product Name: |
5-Methylpyridine-3-sulfonic acid |
CAS: |
4808-70-2 |
Synonyms: |
5-METHYLPYRIDINE-3-SULFONIC ACID |
IUPAC Name: | 5-methylpyridine-3-sulfonic acid |
Molecular Weight: | 173.19 |
Molecular Formula: | C6H7NO3S |
Canonical SMILES: | CC1=CC(=CN=C1)S(=O)(=O)O |
InChI: | InChI=1S/C6H7NO3S/c1-5-2-6(4-7-3-5)11(8,9)10/h2-4H,1H3,(H,8,9,10) |
InChI Key: | GHCQNEIFBBBMQB-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.422g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.01466426 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.01466426 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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Related Functional Groups
Pyridines
Sulfur Compounds
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