| CAS Number | 926232-25-9 |
| Catalog Number | AG019LIL |
| Chemical Name | 4-ethyl-3-(morpholine-4-sulfonyl)benzoic acid |
| IUPAC Name | 4-ethyl-3-morpholin-4-ylsulfonylbenzoic acid |
| InChI | InChI=1S/C13H17NO5S/c1-2-10-3-4-11(13(15)16)9-12(10)20(17,18)14-5-7-19-8-6-14/h3-4,9H,2,5-8H2,1H3,(H,15,16) |
| InChI Key | CMDMTXRBPVOHIL-UHFFFAOYSA-N |
| MDL Number | MFCD09050946 |
| Molecular Formula | C13H17NO5S |
| Molecular Weight | 299.3428 |
| SMILES | CCC1=C(S(N2CCOCC2)(=O)=O)C=C(C(O)=O)C=C1 |
| Synonyms | 4-ethyl-3-(morpholine-4-sulfonyl)benzoic acid,
4-ethyl-3-(morpholin-4-ylsulfonyl)benzoic acid,
926232-25-9,
AC1Q2STK,
CTK6D1825,
ZINC12895992,
AKOS000134347,
MCULE-2361001613,
NE20078,
EN300-31373,
|
| Complexity | 438 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.341g/mol |
| Monoisotopic Mass | 299.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number