| CAS Number | 1033194-58-9 |
| Catalog Number | AG00HA1E |
| Chemical Name | 2-(n-(2-methoxyethyl)-3,5-dimethylisoxazole-4-sulfonamido)acetic acid |
| IUPAC Name | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(2-methoxyethyl)amino]acetic acid |
| InChI | InChI=1S/C10H16N2O6S/c1-7-10(8(2)18-11-7)19(15,16)12(4-5-17-3)6-9(13)14/h4-6H2,1-3H3,(H,13,14) |
| InChI Key | CFTWTJJSMDXLEW-UHFFFAOYSA-N |
| MDL Number | MFCD11040515 |
| Molecular Formula | C10H16N2O6S |
| Molecular Weight | 292.3088 |
| SMILES | COCCN(CC(O)=O)S(=O)(=O)C1=C(C)ON=C1C |
| Synonyms | 2-(N-(2-METHOXYETHYL)-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDO)ACETIC ACID,
1033194-58-9,
CTK7B3219,
AR3269,
MFCD11040515,
ZINC35287549,
AKOS010799432,
AS-45565,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.306g/mol |
| Monoisotopic Mass | 292.073g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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