| CAS Number | 925908-56-1 |
| Catalog Number | AG00IH7F(AGN-PC-0WOKFC) |
| Chemical Name | 4-(2,5-Dimethoxyphenyl)benzoic acid |
| IUPAC Name | 4-(2,5-dimethoxyphenyl)benzoic acid |
| InChI | InChI=1S/C15H14O4/c1-18-12-7-8-14(19-2)13(9-12)10-3-5-11(6-4-10)15(16)17/h3-9H,1-2H3,(H,16,17) |
| InChI Key | OVMKKAINZYHHDR-UHFFFAOYSA-N |
| MDL Number | MFCD11932237 |
| Molecular Formula | C15H14O4 |
| Molecular Weight | 258.2693 |
| SMILES | COc1ccc(cc1c1ccc(cc1)C(=O)O)OC |
| Synonyms | 4-(2,5-DIMETHOXYPHENYL)BENZOIC ACID,
925908-56-1,
SCHEMBL2039734,
DTXSID60680726,
MFCD11932237,
ZINC33428007,
2',5'-dimethoxy[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.273g/mol |
| Monoisotopic Mass | 258.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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