| CAS Number | 220798-42-5 |
| Catalog Number | AG00BLBD(AGN-PC-03ZKY7) |
| Chemical Name | 3-(Hydroxymethyl)benzenesulfonamide |
| IUPAC Name | 3-(hydroxymethyl)benzenesulfonamide |
| InChI | InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-4,9H,5H2,(H2,8,10,11) |
| InChI Key | VKZQCTHCVNLLCL-UHFFFAOYSA-N |
| MDL Number | MFCD18825601 |
| Molecular Formula | C7H9NO3S |
| Molecular Weight | 187.2163 |
| SMILES | NS(C1=CC(CO)=CC=C1)(=O)=O |
| Synonyms | 3-(Hydroxymethyl)benzenesulfonamide,
220798-42-5,
3-(Hydroxymethyl)benzene-1-sulfonamide,
Benzenesulfonamide,3-(hydroxymethyl)-,
SCHEMBL185757,
3-Hydroxymethylbenzenesulfonamide,
CTK4E8496,
3(hydroxymethyl)benzenesulfonamide,
DTXSID50630891,
VKZQCTHCVNLLCL-UHFFFAOYSA-N,
MFCD18825601,
ZINC39054000,
AKOS013568392,
AS-37405,
FT-0711304,
Benzenesulfonamide, 3-(hydroxymethyl)- (9CI),
Z2111524677,
Benzenesulfonamide,3- -,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.213g/mol |
| Monoisotopic Mass | 187.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number