| CAS Number | 5324-56-1 |
| Catalog Number | AG01A87O(AGN-PC-0SEREJ) |
| Chemical Name | 2-(Methylsulfonyl)-1-phenylethanol |
| IUPAC Name | 2-methylsulfonyl-1-phenylethanol |
| InChI | InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3 |
| InChI Key | FVZQEVNJWREWHU-UHFFFAOYSA-N |
| MDL Number | MFCD00093203 |
| Molecular Formula | C9H12O3S |
| Molecular Weight | 200.2548 |
| NSC Number | 2706 |
| SMILES | CS(CC(C1=CC=CC=C1)O)(=O)=O |
| Synonyms | 2-(methylsulfonyl)-1-phenylethanol,
2-methanesulfonyl-1-phenylethan-1-ol,
5324-56-1,
2-methylsulfonyl-1-phenylethanol,
NSC2706,
AC1Q4GLT,
AC1Q6UZK,
AC1L58HJ,
SCHEMBL11687409,
CTK1H1906,
DTXSID20277515,
2-methylsulfonyl-1-phenyl-ethanol,
NSC-2706,
AKOS010780229,
MCULE-3984536969,
NE24727,
EN300-60944,
Z822382694,
AR-1C9497,
CID220240,
5746-80-5,
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| 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 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number