| CAS Number | 662154-26-9 |
| Catalog Number | AG00FBSI(AGN-PC-0WB4OB) |
| Chemical Name | 2-(2-Formyl-6-methoxy-4-nitrophenoxy)propanoic acid |
| IUPAC Name | 2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid |
| InChI | InChI=1S/C11H11NO7/c1-6(11(14)15)19-10-7(5-13)3-8(12(16)17)4-9(10)18-2/h3-6H,1-2H3,(H,14,15) |
| InChI Key | MIQCEOGOTBKVCB-UHFFFAOYSA-N |
| MDL Number | MFCD05149512 |
| Molecular Formula | C11H11NO7 |
| Molecular Weight | 269.2075 |
| SMILES | [N+](=O)([O-])C1C=C(C=O)C(=C(OC)C=1)OC(C)C(O)=O |
| Synonyms | 2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid,
662154-26-9,
CHEMBRDG-BB 6744545,
AC1MY1ZQ,
SCHEMBL15329757,
CTK5C3641,
DTXSID60396592,
ZX-CM016978,
MFCD05149512,
STL388415,
AKOS002341106,
AKOS022184796,
MCULE-1364098480,
Y-1624,
CID3799665,
2-(2-formyl-6-methoxy-4-nitro-phenoxy)propanoic Acid,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.209g/mol |
| Monoisotopic Mass | 269.054g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number