| CAS Number | 1008052-20-7 |
| Catalog Number | AG00H9C2(AGN-PC-0WBQ3R) |
| Chemical Name | 2-[[4-(2-Methoxyphenoxy)Phenyl]Sulfonylamino]Propanoic Acid |
| IUPAC Name | 2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoic acid |
| InChI | InChI=1S/C16H17NO6S/c1-11(16(18)19)17-24(20,21)13-9-7-12(8-10-13)23-15-6-4-3-5-14(15)22-2/h3-11,17H,1-2H3,(H,18,19) |
| InChI Key | QUWHLOBHPRYVHJ-UHFFFAOYSA-N |
| MDL Number | MFCD03619081 |
| Molecular Formula | C16H17NO6S |
| Molecular Weight | 351.3743 |
| SMILES | O=S(NC(C)C(O)=O)(C(C=C1)=CC=C1OC(C=CC=C2)=C2OC)=O |
| Synonyms | 1008052-20-7,
((4-(2-methoxyphenoxy)phenyl)sulfonyl)alanine,
N-[4-(2-Methoxyphenoxy)phenylsulfonyl]-DL-alanine,
AC1MNB2Z,
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoic Acid,
MFCD03619081,
AKOS000805745,
AKOS016055258,
MCULE-7432136788,
EU-0015550,
SR-01000112828,
SR-01000112828-1,
Z56883202,
2-(4-(2-methoxyphenoxy)phenylsulfonamido)propanoic acid,
2-[4-(2-methoxyphenoxy)benzenesulfonamido]propanoic acid,
F1408-0286,
CID3301087,
|
| Complexity | 509 |
| 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 | 7 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number