4-[4-(2-Carboxybenzoyl)phenyl]butyric acid - CAS 80866-86-0
Catalog: |
BB036568 |
Product Name: |
4-[4-(2-Carboxybenzoyl)phenyl]butyric acid |
CAS: |
80866-86-0 |
Synonyms: |
2-[4-(3-carboxypropyl)benzoyl]benzoic acid |
IUPAC Name: | 2-[4-(3-carboxypropyl)benzoyl]benzoic acid |
Description: | 4-[4-(2-Carboxybenzoyl)phenyl]butyric acid (CAS# 80866-86-0 ) is a useful research chemical. |
Molecular Weight: | 312.32 |
Molecular Formula: | C18H16O5 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)CCCC(=O)O)C(=O)O |
InChI: | InChI=1S/C18H16O5/c19-16(20)7-3-4-12-8-10-13(11-9-12)17(21)14-5-1-2-6-15(14)18(22)23/h1-2,5-6,8-11H,3-4,7H2,(H,19,20)(H,22,23) |
InChI Key: | PBCSZTCIOAKNOF-UHFFFAOYSA-N |
Boiling Point: | 575.3 ℃ at 760 mmHg |
Density: | 1.298 g/cm3 |
Appearance: | White to off-white solid |
MDL: | MFCD00004405 |
LogP: | 3.02310 |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2015239931-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
US-9340574-B2 | Inhibitors of protein tyrosine phosphatases | 20121004 |
US-2012049106-A1 | Maleimide-functional monomers in amorphous form | 20100825 |
US-2013012620-A1 | Curing agents for epoxy resins | 20100317 |
PMID | Publication Date | Title | Journal |
15115392 | 20040506 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
Complexity: | 437 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.09977361 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 91.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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