3-Hydroxy-4'-methyl[1,1'-biphenyl]-4-carboxylic Acid - CAS 482377-67-3
Catalog: |
BB056213 |
Product Name: |
3-Hydroxy-4'-methyl[1,1'-biphenyl]-4-carboxylic Acid |
CAS: |
482377-67-3 |
Synonyms: |
2-HYDROXY-4-(4-METHYLPHENYL)BENZOIC ACID; 3-Hydroxy-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid; 3-Hydroxy-4'methyl-[1,1'-biphenyl]-4-carboxylic acid; 3-Hydroxy-4'-methyl-[1,1'-biphenyl]-4-carboxylicacid; 3-Hydroxy-4'-methyl[1,1'-biphenyl]-4-carboxylic acid |
IUPAC Name: | 2-hydroxy-4-(4-methylphenyl)benzoic acid |
Description: | 3-Hydroxy-4'-methyl[1,1'-biphenyl]-4-carboxylic Acid is a reagent used in the biaryl-coupling reaction of arylboronic acid in water with hydrophilic phosphine ligands. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)O |
InChI: | InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8,15H,1H3,(H,16,17) |
InChI Key: | NKDNZJYBOBLFRZ-UHFFFAOYSA-N |
References: | Nishimura, M., et al. Tetrahedron, 58, 5779 (2002). |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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