Acenaphthenequinone - CAS 82-86-0
Catalog: |
BB036927 |
Product Name: |
Acenaphthenequinone |
CAS: |
82-86-0 |
Synonyms: |
acenaphthylene-1,2-dione |
IUPAC Name: | acenaphthylene-1,2-dione |
Description: | Acenaphthenequinone (CAS# 82-86-0) is used in the synthesis of AChE inhibitory agents. Also used in the synthesis of turn-on sensors for cysteine/homocysteine and its application in bioimaging. |
Molecular Weight: | 182.17 |
Molecular Formula: | C12H6O2 |
Canonical SMILES: | C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2 |
InChI: | InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H |
InChI Key: | AFPRJLBZLPBTPZ-UHFFFAOYSA-N |
Boiling Point: | 362.5 °C at 760 mmHg |
Melting Point: | 261 °C |
Purity: | 98+ % |
Density: | 1.424 g/cm3 |
Solubility: | Insol in water; slightly sol in acetic acid; slightly sol in alc, Hot benzene; hot petroleum ether |
Appearance: | Yellow needles from acetic acid |
MDL: | MFCD00003805 |
LogP: | 2.21880 |
Vapor Pressure: | 0.0000157 [mmHg] |
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 |
30926317 | 20190525 | Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11 | Chemico-biological interactions |
22967112 | 20120921 | Efficient multicomponent strategy to pentacyclic pyrazole-fused naphtho[1,8-fg]isoquinolines through cleavage of two carbon-carbon bonds | Organic letters |
22167248 | 20120128 | Multicomponent approaches to 8-carboxylnaphthyl-functionalized pyrazolo[3,4-b]pyridine derivatives | Organic & biomolecular chemistry |
22010712 | 20111014 | Electron-vibron coupling in halogenated acenaphthenequinone upon O K-edge soft x-ray absorption | The Journal of chemical physics |
22091147 | 20110801 | 3,8-Dimethyl-acenaphthyl-ene-1,2-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.036779430 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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