[1,1':4',1''-Terphenyl]-4,4''-dicarboxylic Acid - CAS 13653-84-4
Catalog: |
BB008371 |
Product Name: |
[1,1':4',1''-Terphenyl]-4,4''-dicarboxylic Acid |
CAS: |
13653-84-4 |
Synonyms: |
4-[4-(4-carboxyphenyl)phenyl]benzoic acid; 4-[4-(4-carboxyphenyl)phenyl]benzoic acid |
IUPAC Name: | 4-[4-(4-carboxyphenyl)phenyl]benzoic acid |
Description: | Used in the synthesis of substituted terphenyls. |
Molecular Weight: | 318.32 |
Molecular Formula: | C20H14O4 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)C(=O)O |
InChI: | InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24) |
InChI Key: | FZTIWOBQQYPTCJ-UHFFFAOYSA-N |
MDL: | MFCD00389774 |
LogP: | 4.41700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
19309103 | 20090417 | Peptide cyclization and cyclodimerization by Cu(I)-mediated azide-alkyne cycloaddition | The Journal of organic chemistry |
16103992 | 20060301 | C-terminal N-alkylated peptide amides resulting from the linker decomposition of the Rink amide resin: a new cleavage mixture prevents their formation | Journal of peptide science : an official publication of the European Peptide Society |
11245206 | 20010101 | Synthesis of of beta-amyloid precursor peptide and presenilin segments | Journal of peptide science : an official publication of the European Peptide Society |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 318.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 318.08920892 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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