| CAS Number | 108153-42-0 |
| Catalog Number | AG00HB2V(AGN-PC-0WAZ9A) |
| Chemical Name | 2-Hydroxy-4-methanesulfonylbenzoic acid |
| IUPAC Name | 2-hydroxy-4-methylsulfonylbenzoic acid |
| InChI | InChI=1S/C8H8O5S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11) |
| InChI Key | PTKNITYRMQWUFW-UHFFFAOYSA-N |
| MDL Number | MFCD24483010 |
| Molecular Formula | C8H8O5S |
| Molecular Weight | 216.2111 |
| SMILES | S(=O)(=O)(C1(=CC(O)=C(C(=O)O)C=C1))C |
| Synonyms | 2-hydroxy-4-methanesulfonylbenzoic acid,
108153-42-0,
2-HYDROXY-4-(METHYLSULFONYL)BENZOIC ACID,
SCHEMBL1042597,
PTKNITYRMQWUFW-UHFFFAOYSA-N,
KS-000024FB,
AKOS025393344,
ZINC115101573,
DK-0206,
FCH1792759,
OR310805,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.207g/mol |
| Monoisotopic Mass | 216.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number