| CAS Number | 1423027-12-6 |
| Catalog Number | AG01A213 |
| Chemical Name | (4-(Hydroxymethyl)phenyl)methanesulfonamide |
| IUPAC Name | [4-(hydroxymethyl)phenyl]methanesulfonamide |
| InChI | InChI=1S/C8H11NO3S/c9-13(11,12)6-8-3-1-7(5-10)2-4-8/h1-4,10H,5-6H2,(H2,9,11,12) |
| InChI Key | HCGQPMRTZKGSOD-UHFFFAOYSA-N |
| MDL Number | MFCD21298895 |
| Molecular Formula | C8H11NO3S |
| Molecular Weight | 201.2428 |
| SMILES | OCC1=CC=C(C=C1)CS(=O)(=O)N |
| Synonyms | [4-(hydroxymethyl)phenyl]methanesulfonamide,
1423027-12-6,
ZINC59551960,
AKOS015083527,
MCULE-8169084376,
NE49818,
Z1495385257,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.24g/mol |
| Monoisotopic Mass | 201.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number