| CAS Number | 861600-11-5 |
| Catalog Number | AG00IDXV(AGN-PC-0WRA0W) |
| Chemical Name | 4-(4-Carboxyphenyl)-2-hydroxybenzoic acid |
| IUPAC Name | 4-(4-carboxyphenyl)-2-hydroxybenzoic acid |
| InChI | InChI=1S/C14H10O5/c15-12-7-10(5-6-11(12)14(18)19)8-1-3-9(4-2-8)13(16)17/h1-7,15H,(H,16,17)(H,18,19) |
| InChI Key | YDDSATUGVGWNIH-UHFFFAOYSA-N |
| MDL Number | MFCD18320275 |
| Molecular Formula | C14H10O5 |
| Molecular Weight | 258.2262 |
| SMILES | O=C(O)C1=CC=C(C2=CC=C(C(O)=O)C=C2)C=C1O |
| Synonyms | 861600-11-5,
4-(4-CARBOXYPHENYL)-2-HYDROXYBENZOIC ACID,
3-Hydroxy-[1,1'-biphenyl]-4,4'-dicarboxylic acid,
DTXSID00689915,
MFCD18320275,
ZINC65350653,
AKOS027439759,
3-Hydroxy[1,1'-biphenyl]-4,4'-dicarboxylic 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 | 258.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.229g/mol |
| Monoisotopic Mass | 258.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number