2-Formylbenzenesulfonic acid sodium salt hydrate - CAS 305808-14-4
Catalog: |
BB020648 |
Product Name: |
2-Formylbenzenesulfonic acid sodium salt hydrate |
CAS: |
305808-14-4 |
Synonyms: |
sodium;2-formylbenzenesulfonate;hydrate |
IUPAC Name: | sodium;2-formylbenzenesulfonate;hydrate |
Description: | 2-Formylbenzenesulfonic acid sodium salt hydrate (CAS# 305808-14-4 ) is a useful research chemical. |
Molecular Weight: | 208.17 (anhydrous basis) |
Molecular Formula: | C7H7NaO5S |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)S(=O)(=O)[O-].O.[Na+] |
InChI: | InChI=1S/C7H6O4S.Na.H2O/c8-5-6-3-1-2-4-7(6)12(9,10)11;;/h1-5H,(H,9,10,11);;1H2/q;+1;/p-1 |
InChI Key: | MGFBXWRKSPLCAK-UHFFFAOYSA-M |
Appearance: | Solid |
MDL: | MFCD00007478 |
LogP: | 1.35540 |
Publication Number | Title | Priority Date |
EP-2240444-A1 | Compounds having crth2 antagonist activity | 20080122 |
US-2009192195-A1 | Compounds Having CRTH2 Antagonist Activity | 20080122 |
US-8168673-B2 | Compounds having CRTH2 antagonist activity | 20080122 |
WO-2009093029-A1 | Compounds having crth2 antagonist activity | 20080122 |
AU-2001290131-B2 | Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors | 20000929 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.99118878 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.99118878 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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