| CAS Number | 1261925-74-9 |
| Catalog Number | AG009WRL(AGN-PC-0WNPO4) |
| Chemical Name | 4-(3,4-Dimethoxyphenyl)-2-hydroxybenzoic acid |
| IUPAC Name | 4-(3,4-dimethoxyphenyl)-2-hydroxybenzoic acid |
| InChI | InChI=1S/C15H14O5/c1-19-13-6-4-10(8-14(13)20-2)9-3-5-11(15(17)18)12(16)7-9/h3-8,16H,1-2H3,(H,17,18) |
| InChI Key | QXRNWPNPULHUNN-UHFFFAOYSA-N |
| MDL Number | MFCD18321377 |
| Molecular Formula | C15H14O5 |
| Molecular Weight | 274.2687 |
| SMILES | COc1cc(ccc1OC)c1ccc(c(c1)O)C(=O)O |
| Synonyms | 1261925-74-9,
4-(3,4-DIMETHOXYPHENYL)-2-HYDROXYBENZOIC ACID,
3-Hydroxy-3',4'-dimethoxy-[1,1'-biphenyl]-4-carboxylic acid,
DTXSID40690843,
MFCD18321377,
ZINC65353900,
3-Hydroxy-3',4'-dimethoxy[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.272g/mol |
| Monoisotopic Mass | 274.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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