| CAS Number | 25195-65-7 |
| Catalog Number | AG00I4T4 |
| Chemical Name | Methyl 2-(methanesulfonylmethyl)benzoate |
| IUPAC Name | methyl 2-(methylsulfonylmethyl)benzoate |
| InChI | InChI=1S/C10H12O4S/c1-14-10(11)9-6-4-3-5-8(9)7-15(2,12)13/h3-6H,7H2,1-2H3 |
| InChI Key | BFWVGQGASUNLPB-UHFFFAOYSA-N |
| MDL Number | MFCD00051692 |
| Molecular Formula | C10H12O4S |
| Molecular Weight | 228.2649 |
| SMILES | COC(=O)c1ccccc1CS(=O)(=O)C |
| Synonyms | Methyl 2-(methanesulfonylmethyl)benzoate,
25195-65-7,
methyl 2-(methylsulfonylmethyl)benzoate,
AC1MD1PU,
Maybridge3_000963,
SCHEMBL15461583,
HMS1433L17,
ZINC139145,
AKOS021288925,
CCG-243018,
MCULE-6548178380,
IDI1_012350,
FT-0740823,
ZINC00139145,
CID2804363,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.262g/mol |
| Monoisotopic Mass | 228.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number