| CAS Number | 87359-71-5 |
| Catalog Number | AG008E59(AGN-PC-00MM0K) |
| Chemical Name | 4-Methoxy-2-(2-methoxyethoxy)benzoic acid |
| IUPAC Name | 4-methoxy-2-(2-methoxyethoxy)benzoic acid |
| InChI | InChI=1S/C11H14O5/c1-14-5-6-16-10-7-8(15-2)3-4-9(10)11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13) |
| InChI Key | FDLGCDVIMKHWSZ-UHFFFAOYSA-N |
| MDL Number | MFCD14649660 |
| Molecular Formula | C11H14O5 |
| Molecular Weight | 226.2259 |
| SMILES | COCCOC1=C(C(O)=O)C=CC(OC)=C1 |
| Synonyms | 4-methoxy-2-(2-methoxyethoxy)benzoic acid,
87359-71-5,
Benzoic acid, 4-methoxy-2-(2-methoxyethoxy)-,
CTK3C4569,
DTXSID80541188,
ZINC42340034,
AKOS009154056,
MCULE-2495063046,
NE32219,
A1-05433,
Z286107242,
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| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.228g/mol |
| Monoisotopic Mass | 226.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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