| CAS Number | 1152502-54-9 |
| Catalog Number | AG019W2I |
| Chemical Name | 2-{[4-(propan-2-yloxy)phenyl]sulfamoyl}acetic acid |
| IUPAC Name | 2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetic acid |
| InChI | InChI=1S/C11H15NO5S/c1-8(2)17-10-5-3-9(4-6-10)12-18(15,16)7-11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14) |
| InChI Key | JMZXIPFZQVYFGZ-UHFFFAOYSA-N |
| MDL Number | MFCD10690354 |
| Molecular Formula | C11H15NO5S |
| Molecular Weight | 273.3055 |
| SMILES | CC(OC1=CC=C(NS(CC(O)=O)(=O)=O)C=C1)C |
| Synonyms | 2-{[4-(propan-2-yloxy)phenyl]sulfamoyl}acetic acid,
1152502-54-9,
AC1Q1QPP,
CTK6B0810,
ZINC34957226,
AKOS005200751,
MCULE-8175187816,
NE40665,
EN300-50268,
Z607822504,
2-([4-(propan-2-yloxy)phenyl]sulfamoyl)acetic acid,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.303g/mol |
| Monoisotopic Mass | 273.067g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number