| CAS Number | 2060026-75-5 |
| Catalog Number | AG01BV7J |
| Chemical Name | 4-Hydroxybenzene-1-sulfonic acid dihydrate |
| IUPAC Name | 4-hydroxybenzenesulfonic acid;dihydrate |
| InChI | InChI=1S/C6H6O4S.2H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4,7H,(H,8,9,10);2*1H2 |
| InChI Key | FVULJAPNZJRJMC-UHFFFAOYSA-N |
| MDL Number | MFCD28364189 |
| Molecular Formula | C6H10O6S |
| Molecular Weight | 210.2050 |
| SMILES | O.O.OC1=CC=C(S(O)(=O)=O)C=C1 |
| Synonyms | 4-hydroxybenzene-1-sulfonic acid dihydrate,
2060026-75-5,
SCHEMBL560246,
FVULJAPNZJRJMC-UHFFFAOYSA-N,
4-hydroxybenzenesulfonic acid dihydrate,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.2g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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