| CAS Number | 1242829-56-6 |
| Catalog Number | AG01EH62 |
| Chemical Name | Methyl 4-[(morpholine-4-sulfonyl)methyl]benzoate |
| IUPAC Name | methyl 4-(morpholin-4-ylsulfonylmethyl)benzoate |
| InChI | InChI=1S/C13H17NO5S/c1-18-13(15)12-4-2-11(3-5-12)10-20(16,17)14-6-8-19-9-7-14/h2-5H,6-10H2,1H3 |
| InChI Key | UYFHAQMSTMWQHM-UHFFFAOYSA-N |
| MDL Number | MFCD22438497 |
| Molecular Formula | C13H17NO5S |
| Molecular Weight | 299.3428 |
| SMILES | COC(=O)c1ccc(cc1)CS(=O)(=O)N1CCOCC1 |
| Synonyms | METHYL 4-[(MORPHOLINE-4-SULFONYL)METHYL]BENZOATE,
1242829-56-6,
STL259693,
ZINC44839047,
AKOS005134568,
MCULE-7221350350,
methyl 4-[(morpholinosulfonyl)methyl]benzoate,
methyl 4-[(morpholin-4-ylsulfonyl)methyl]benzoate,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.341g/mol |
| Monoisotopic Mass | 299.083g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number