3',5'-Dihydroxyacetophenone - CAS 51863-60-6
Catalog: |
BB027631 |
Product Name: |
3',5'-Dihydroxyacetophenone |
CAS: |
51863-60-6 |
Synonyms: |
1-(3,5-dihydroxyphenyl)ethanone; 1-(3,5-dihydroxyphenyl)ethanone |
IUPAC Name: | 1-(3,5-dihydroxyphenyl)ethanone |
Description: | 3',5'-Dihydroxyacetophenone (CAS# 51863-60-6) is a dihydroxy derivative of acetophenone. 3',5'-Dihydroxyacetophenone shows inhibitory activity towards plant germination and growth as well as some antitumor activity. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H8O3 |
Canonical SMILES: | CC(=O)C1=CC(=CC(=C1)O)O |
InChI: | InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3 |
InChI Key: | WQXWIKCZNIGMAP-UHFFFAOYSA-N |
Boiling Point: | 234.6 °C (rough estimate) |
Melting Point: | 145-146 °C (lit.) |
Purity: | 97 % |
Density: | 1.2143 (rou gh estimate) |
Solubility: | 6.943e+004 mg/L at 25 °C (est) |
Appearance: | Off-white to brown powder |
MDL: | MFCD00002290 |
LogP: | 1.30040 |
Refractive Index: | 1.4447 (estimate) |
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 |
21048342 | 20101101 | Efficient synthesis of natural polyphenolic stilbenes: resveratrol, piceatannol and oxyresveratrol | Chemical & pharmaceutical bulletin |
19097778 | 20090201 | Synthesis and biological evaluation of phloridzin analogs as human concentrative nucleoside transporter 3 (hCNT3) inhibitors | Bioorganic & medicinal chemistry letters |
18381733 | 20080701 | Highly enantioselective synthesis, crystal structure, and circular dichroism spectroscopy of (R)-bambuterol hydrochloride | Chirality |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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