| CAS Number | 33951-30-3 |
| Catalog Number | AG01EVLA(AGN-PC-3H4802) |
| Chemical Name | 3,4-Dimethoxyphenylmethylsulfone |
| IUPAC Name | 1,2-dimethoxy-4-methylsulfonylbenzene |
| InChI | InChI=1S/C9H12O4S/c1-12-8-5-4-7(14(3,10)11)6-9(8)13-2/h4-6H,1-3H3 |
| InChI Key | NZPKJEPBZLUNSX-UHFFFAOYSA-N |
| MDL Number | MFCD03789187 |
| Molecular Formula | C18H22O6S |
| Molecular Weight | 366.4287 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)C)OC)OC |
| Synonyms | 3,4-Dimethoxyphenylmethylsulfone,
33951-30-3,
1,2-dimethoxy-4-(methylsulfonyl)benzene,
AC1MBY7Q,
SCHEMBL862980,
ZINC2511104,
1,2-dimethoxy-4-methylsulfonylbenzene,
AKOS024388225,
FS-5784,
MCULE-3776381510,
ST51042009,
Not Available,
CID2758462,
1,2-dimethoxy-4-methylsulfonyl-benzene,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.251g/mol |
| Monoisotopic Mass | 216.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number