| CAS Number | 590395-57-6 |
| Catalog Number | AG00EC1K(AGN-PC-0WB4O8) |
| Chemical Name | 2-(2-Formyl-6-methoxyphenoxy)propanoic acid |
| IUPAC Name | 2-(2-formyl-6-methoxyphenoxy)propanoic acid |
| InChI | InChI=1S/C11H12O5/c1-7(11(13)14)16-10-8(6-12)4-3-5-9(10)15-2/h3-7H,1-2H3,(H,13,14) |
| InChI Key | DXXCAUDRFSLKGO-UHFFFAOYSA-N |
| MDL Number | MFCD04083021 |
| Molecular Formula | C11H12O5 |
| Molecular Weight | 224.2100 |
| SMILES | C1(C(=CC=CC=1C=O)OC)OC(C)C(O)=O |
| Synonyms | 2-(2-formyl-6-methoxyphenoxy)propanoic acid,
590395-57-6,
CHEMBRDG-BB 6743497,
AC1MYNPO,
SCHEMBL15331107,
CTK5A9293,
DTXSID80397086,
SP185,
ZX-CM016977,
BBL025846,
MFCD04083021,
STL370132,
AKOS002341091,
AKOS017439528,
MCULE-1104221336,
Y-1171,
2-(2-Formyl-6-methoxyphenoxy)propanoic acid, AldrichCPR,
CID3834708,
2-(2-formyl-6-methoxy-phenoxy)propanoic Acid,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.212g/mol |
| Monoisotopic Mass | 224.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.8A^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