| CAS Number | 606944-94-9 |
| Catalog Number | AG00IAQF(AGN-PC-0WBQ3T) |
| Chemical Name | 3-((4-(2-Methoxyphenoxy)Phenyl)Sulfonamido)Propanoic Acid |
| IUPAC Name | 3-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoic acid |
| InChI | InChI=1S/C16H17NO6S/c1-22-14-4-2-3-5-15(14)23-12-6-8-13(9-7-12)24(20,21)17-11-10-16(18)19/h2-9,17H,10-11H2,1H3,(H,18,19) |
| InChI Key | OZNOLZBABTUUMX-UHFFFAOYSA-N |
| MDL Number | MFCD03619078 |
| Molecular Formula | C16H17NO6S |
| Molecular Weight | 351.3743 |
| SMILES | O=S(C(C=C1)=CC=C1OC(C=CC=C2)=C2OC)(NCCC(O)=O)=O |
| Synonyms | 606944-94-9,
3-((4-(2-methoxyphenoxy)phenyl)sulfonamido)propanoic acid,
N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-beta-alanine,
ZINC953563,
MFCD03619078,
AKOS000805749,
MCULE-4887590121,
EU-0015540,
SR-01000112824,
SR-01000112824-1,
Z56883206,
3-(4-(2-methoxyphenoxy)phenylsulfonamido)propanoic acid,
3-[4-(2-methoxyphenoxy)benzenesulfonamido]propanoic acid,
F1408-0294,
CID1190532,
3-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoic Acid,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.373g/mol |
| Monoisotopic Mass | 351.078g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number