9-Anthracenecarboxylic acid - CAS 723-62-6
Catalog: |
BB034609 |
Product Name: |
9-Anthracenecarboxylic acid |
CAS: |
723-62-6 |
Synonyms: |
9-Anthroic acid; 9-Anthraceneformic acid; 9-Anthracenylcarboxylic acid; 9-Carboxyanthracene; NSC 151909 |
IUPAC Name: | anthracene-9-carboxylic acid |
Description: | 9-Anthracenecarboxylic acid is a Cl- transport inhibitor with a moderate to strong inhibitory effect on PKA activated cardiac IcI. |
Molecular Weight: | 222.24 |
Molecular Formula: | C15H10O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O |
InChI: | InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17) |
InChI Key: | XGWFJBFNAQHLEF-UHFFFAOYSA-N |
Boiling Point: | 467.5±14.0°C at 760 mmHg |
Melting Point: | 217°C (dec.) |
Purity: | ≥95% |
Density: | 1.305±0.06 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Yellow solid |
Storage: | Store at RT |
MDL: | MFCD00001257 |
LogP: | 3.69120 |
Vapor Pressure: | 0.00000022 [mmHg] |
GHS Hazard Statement: | H301 (14.29%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22886354 | 20120921 | β-Cyclodextrin non-covalently functionalized single-walled carbon nanotubes bridged by 3,4,9,10-perylene tetracarboxylic acid for ultrasensitive electrochemical sensing of 9-anthracenecarboxylic acid | Nanoscale |
22798228 | 20120801 | Polycyclic aromatic hydrocarbons as plausible prebiotic membrane components | Origins of life and evolution of the biosphere : the journal of the International Society for the Study of the Origin of Life |
22714053 | 20120728 | Oxozinc carboxylates: a predesigned platform for modelling prototypical Zn-MOFs' reactivity toward water and donor solvents | Chemical communications (Cambridge, England) |
22476383 | 20120607 | Silver(I) complexes of 9-anthracenecarboxylic acid and imidazoles: synthesis, structure and antimicrobial activity | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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