| CAS Number | 812642-68-5 |
| Catalog Number | AG004YQZ(AGN-PC-0WB4NE) |
| Chemical Name | 2-(4-Formyl-2,6-dimethoxyphenoxy)propanoic acid |
| IUPAC Name | 2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid |
| InChI | InChI=1S/C12H14O6/c1-7(12(14)15)18-11-9(16-2)4-8(6-13)5-10(11)17-3/h4-7H,1-3H3,(H,14,15) |
| InChI Key | ZZTPVGFRGWPXEF-UHFFFAOYSA-N |
| MDL Number | MFCD05625237 |
| Molecular Formula | C12H14O6 |
| Molecular Weight | 254.2360 |
| SMILES | COc1cc(C=O)cc(c1OC(C(=O)O)C)OC |
| Synonyms | 2-(4-formyl-2,6-dimethoxyphenoxy)propanoic acid,
812642-68-5,
AC1NLQ1O,
SCHEMBL2559846,
CTK5E8651,
DTXSID80407275,
CHEMBRDG-BB 6724716,
SP449,
ZX-CM016964,
MFCD05625237,
STL380947,
AKOS000113601,
AKOS022060368,
MCULE-4723197840,
Y-1735,
CID4987430,
2-(4-formyl-2,6-dimethoxy-phenoxy)propanoic Acid,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.238g/mol |
| Monoisotopic Mass | 254.079g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number