4-Phenoxybenzoic acid - CAS 2215-77-2
Catalog: |
BB017427 |
Product Name: |
4-Phenoxybenzoic acid |
CAS: |
2215-77-2 |
Synonyms: |
4-phenoxybenzoic acid |
IUPAC Name: | 4-phenoxybenzoic acid |
Description: | 4-Phenoxybenzoic acid (CAS# 2215-77-2) is a useful research chemical that can block DNA binding of the human papillomarvirus (HPV) E2 protein. |
Molecular Weight: | 214.22 |
Molecular Formula: | C13H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15) |
InChI Key: | RYAQFHLUEMJOMF-UHFFFAOYSA-N |
Boiling Point: | 364.2 °C |
Density: | 1.241 g/cm3 |
MDL: | MFCD00002539 |
LogP: | 3.17710 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22487179 | 20120501 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P₃-sparing S1P₁ agonists | Bioorganic & medicinal chemistry letters |
17887755 | 20071017 | Toward a magnetostructural correlation for a family of Mn6 SMMs | Journal of the American Chemical Society |
16255584 | 20051101 | Microarray immunoassay for phenoxybenzoic acid using polymer encapsulated Eu:Gd2O3 nanoparticles as fluorescent labels | Analytical chemistry |
16203262 | 20051001 | Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies | Environmental health perspectives |
15048787 | 20040405 | Prooxidant and antioxidant action of 4-(4-phenoxybenzoyl)benzoic acid derivatives | Biopolymers |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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