| CAS Number | 1261932-65-3 |
| Catalog Number | AG009WRK(AGN-PC-0WNPO9) |
| Chemical Name | 3-(2,4-Dimethoxyphenyl)-2-methoxybenzoic acid |
| IUPAC Name | 3-(2,4-dimethoxyphenyl)-2-methoxybenzoic acid |
| InChI | InChI=1S/C16H16O5/c1-19-10-7-8-11(14(9-10)20-2)12-5-4-6-13(16(17)18)15(12)21-3/h4-9H,1-3H3,(H,17,18) |
| InChI Key | PKQNGNVLHFWFCW-UHFFFAOYSA-N |
| MDL Number | MFCD18321328 |
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.2952 |
| SMILES | COc1cc(OC)ccc1c1cccc(c1OC)C(=O)O |
| Synonyms | 3-(2,4-DIMETHOXYPHENYL)-2-METHOXYBENZOIC ACID,
1261932-65-3,
DTXSID80690802,
MFCD18321328,
ZINC65351664,
2,2',4'-Trimethoxy[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.299g/mol |
| Monoisotopic Mass | 288.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number