| CAS Number | 79093-71-3 |
| Catalog Number | AG005MXN(AGN-PC-0UE59Z) |
| Chemical Name | 2-Hydroxy-4-methylbenzenesulphonic acid (ammonium) |
| EC Number | 279-057-0 |
| IUPAC Name | azanium;2-hydroxy-4-methylbenzenesulfonate |
| InChI | InChI=1S/C7H8O4S.H3N/c1-5-2-3-7(6(8)4-5)12(9,10)11;/h2-4,8H,1H3,(H,9,10,11);1H3 |
| InChI Key | KGBVTRPJPQHXSU-UHFFFAOYSA-N |
| MDL Number | MFCD22209887 |
| Molecular Formula | C7H11NO4S |
| Molecular Weight | 205.2315 |
| SMILES | N.C1(S(O)(=O)=O)=CC=C(C)C=C1O |
| Synonyms | 79093-71-3,
Benzenesulfonic acid,2-hydroxy-4-methyl-, ammonium salt (1:1),
azanium 2-hydroxy-4-methylbenzenesulfonate,
Ammonium 2-hydroxy-4-methylbenzenesulphonate,
EINECS 279-057-0,
AC1MI77J,
AC1Q1W8U,
SCHEMBL17272172,
CTK5E6441,
AKOS030255137,
C7H8O4S.H3N,
C7-H8-O4-S.H3-N,
CID3018802,
ammonium2-hydroxy-4-methylbenzenesulphonate,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.228g/mol |
| Monoisotopic Mass | 205.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 86.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number