Tropolone - CAS 533-75-5
Catalog: |
BB028184 |
Product Name: |
Tropolone |
CAS: |
533-75-5 |
Synonyms: |
Purpurocatechol |
IUPAC Name: | 2-hydroxycyclohepta-2,4,6-trien-1-one |
Description: | A bactericidal antibiotic composed of a seven membered aromatic ring. |
Molecular Weight: | 122.12 |
Molecular Formula: | C7H6O2 |
Canonical SMILES: | C1=CC=C(C(=O)C=C1)O |
InChI: | InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) |
InChI Key: | MDYOLVRUBBJPFM-UHFFFAOYSA-N |
Boiling Point: | 290.1±33.0 °C at 760 mmHg |
Melting Point: | 49-52 °C |
Flash Point: | >230°F |
Purity: | ≥ 99 % |
Density: | 1.278 g/cm3 |
Solubility: | Soluble in Chloroform, Ethanol |
Appearance: | Off-white solid |
Storage: | Store at 2-8 °C |
LogP: | 0.75240 |
Refractive Index: | 1.5286 (estimate) |
Vapor Pressure: | 0.000679 [mmHg] |
GHS Hazard Statement: | H314 (93.75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P391, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
29098212 | 20171219 | Synthesis and biological assessment of 3,7-dihydroxytropolones | Organic & biomolecular chemistry |
25044443 | 20160101 | Hinokitiol induces autophagy in murine breast and colorectal cancer cells | Environmental toxicology |
24900743 | 20130808 | Tropolones as lead-like natural products: the development of potent and selective histone deacetylase inhibitors | ACS medicinal chemistry letters |
23032214 | 20121121 | The furan route to tropolones: probing the antiproliferative effects of β-thujaplicin analogs | Organic & biomolecular chemistry |
22885403 | 20121101 | Effects of known phenoloxidase inhibitors on hemocyanin-derived phenoloxidase from Limulus polyphemus | Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.036779430 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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