2-Hydroxy-3'-methoxyacetophenone - CAS 87428-52-2
Catalog: |
BB038445 |
Product Name: |
2-Hydroxy-3'-methoxyacetophenone |
CAS: |
87428-52-2 |
Synonyms: |
2-hydroxy-1-(3-methoxyphenyl)ethanone; 2-hydroxy-1-(3-methoxyphenyl)ethanone |
IUPAC Name: | 2-hydroxy-1-(3-methoxyphenyl)ethanone |
Description: | 2-Hydroxy-3'-methoxyacetophenone (CAS# 87428-52-2 ) is a useful research chemical. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C(=O)CO |
InChI: | InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,10H,6H2,1H3 |
InChI Key: | FPRVEQAYURPPAI-UHFFFAOYSA-N |
LogP: | 0.87020 |
Publication Number | Title | Priority Date |
WO-2020120528-A1 | N-containing chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection | 20181214 |
WO-2019152911-A1 | Novel small molecule drug conjugates of gemcitabine derivatives | 20180202 |
WO-2019152955-A1 | Small molecule drug conjugates of gemcitabine monophosphate | 20180202 |
EP-3746133-A1 | Novel small molecule drug conjugates of gemcitabine derivatives | 20180202 |
EP-3746134-A1 | Small molecule drug conjugates of gemcitabine monophosphate | 20180202 |
PMID | Publication Date | Title | Journal |
21547943 | 20110701 | Precision studies in supramolecular chemistry: a 1H NMR study of hydroxymethoxyacetophenone/β-cyclodextrin complexes | Magnetic resonance in chemistry : MRC |
21754860 | 20110601 | 1-(2-Hy-droxy-5-methyl-phen-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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