| CAS Number | 68276-72-2 |
| Catalog Number | AG01ABEH(AGN-PC-0JSOVB) |
| Chemical Name | 1-(Benzenesulfonyl)propan-2-ol |
| IUPAC Name | 1-(benzenesulfonyl)propan-2-ol |
| InChI | InChI=1S/C9H12O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3 |
| InChI Key | ADGDGIOFSAGJEX-UHFFFAOYSA-N |
| MDL Number | MFCD15201575 |
| Molecular Formula | C9H12O3S |
| Molecular Weight | 200.2548 |
| SMILES | CC(CS(C1=CC=CC=C1)(=O)=O)O |
| Synonyms | 1-(benzenesulfonyl)propan-2-ol,
1-(Phenylsulfonyl)-2-propanol,
68276-72-2,
AC1LC3NG,
AC1Q2BWV,
1-(phenylsulfonyl)propan-2-ol,
SCHEMBL9426107,
1-(benzenesulfonyl)-propan-2-ol,
ADGDGIOFSAGJEX-UHFFFAOYSA-N,
1-(Phenylsulfonyl)-2-propanol #,
2-Propanol, 1-(phenylsulfonyl)-,
AKOS012214159,
MCULE-5957541229,
NE15877,
EN300-71393,
Z1259335815,
2-hydroxypropyl phenyl sulfone,
CID547258,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.252g/mol |
| Monoisotopic Mass | 200.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number