| CAS Number | 879362-89-7 |
| Catalog Number | AG00GUGD |
| Chemical Name | 2-(3,4-Diethoxyphenylsulfonamido)acetic acid |
| IUPAC Name | 2-[(3,4-diethoxyphenyl)sulfonylamino]acetic acid |
| InChI | InChI=1S/C12H17NO6S/c1-3-18-10-6-5-9(7-11(10)19-4-2)20(16,17)13-8-12(14)15/h5-7,13H,3-4,8H2,1-2H3,(H,14,15) |
| InChI Key | HPTQKYWBICPVGW-UHFFFAOYSA-N |
| MDL Number | MFCD08262846 |
| Molecular Formula | C12H17NO6S |
| Molecular Weight | 303.3315 |
| SMILES | O=C(O)CNS(=O)(C1=CC=C(OCC)C(OCC)=C1)=O |
| Synonyms | 879362-89-7,
{[(3,4-diethoxyphenyl)sulfonyl]amino}acetic acid,
2-(3,4-diethoxybenzenesulfonamido)acetic acid,
AC1Q35XK,
CTK6G1179,
ZINC8390516,
AKOS008045551,
MCULE-6552097976,
NE13792,
2-(3,4-Diethoxyphenylsulfonamido)acetic acid,
EN300-24354,
2-{[(3,4-Diethoxyphenyl)sulfonyl]amino}acetic acid,
J-507668,
CID9504131,
2-[(3,4-diethoxyphenyl)sulfonylamino]acetic Acid,
1-[4-(chloroacetyl)piperazin-1-yl]cyclohexanecarbonitrile,
|
| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.329g/mol |
| Monoisotopic Mass | 303.078g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number