| CAS Number | 15251-78-2 |
| Catalog Number | AG00AQG3(AGN-PC-0JQIH5) |
| Chemical Name | Methoxymethyl Phenyl Sulfone |
| IUPAC Name | methoxymethylsulfonylbenzene |
| InChI | InChI=1S/C8H10O3S/c1-11-7-12(9,10)8-5-3-2-4-6-8/h2-6H,7H2,1H3 |
| InChI Key | MZIVRTQIEKRAPI-UHFFFAOYSA-N |
| MDL Number | MFCD28975118 |
| Molecular Formula | C8H10O3S |
| Molecular Weight | 186.2282 |
| NSC Number | 634249 |
| SMILES | COCS(=O)(C1=CC=CC=C1)=O |
| Synonyms | Methoxymethyl phenyl sulfone,
15251-78-2,
NSC634249,
methoxymethylsulfonylbenzene,
((Methoxymethyl)sulfonyl)benzene,
[(methoxymethyl)sulfonyl]benzene,
AC1Q6UPE,
(Methoxymethyl)phenyl sulfone,
AC1L7S55,
SCHEMBL6913653,
CTK7B4131,
ZINC1623939,
MFCD28975118,
NSC-634249,
M2629,
CID366072,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.225g/mol |
| Monoisotopic Mass | 186.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number