| CAS Number | 861533-46-2 |
| Catalog Number | AG01E9R0 |
| Chemical Name | 3,3'-Dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid) |
| IUPAC Name | 4-(4-carboxy-3-hydroxyphenyl)-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H10O6/c15-11-5-7(1-3-9(11)13(17)18)8-2-4-10(14(19)20)12(16)6-8/h1-6,15-16H,(H,17,18)(H,19,20) |
| InChI Key | HVMTVUVEDJACFQ-UHFFFAOYSA-N |
| MDL Number | MFCD01321081 |
| Molecular Formula | C14H10O6 |
| Molecular Weight | 274.2256 |
| SMILES | C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)O)O)O)C(=O)O |
| Synonyms | 3,3'-dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid,
861533-46-2,
SCHEMBL2773864,
ZINC146669761,
SC-92911,
3,3'-dihydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic a,
3,3'-Dihydroxy-1,1'-biphenyl-4,4'-dicarboxylic acid,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.228g/mol |
| Monoisotopic Mass | 274.048g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number