3',5'-Dimethoxy-4'-hydroxyacetophenone - CAS 2478-38-8
Catalog: |
BB018622 |
Product Name: |
3',5'-Dimethoxy-4'-hydroxyacetophenone |
CAS: |
2478-38-8 |
Synonyms: |
1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone |
IUPAC Name: | 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone |
Description: | 3',5'-Dimethoxy-4'-hydroxyacetophenone (CAS# 2478-38-8) is a naturally occuring compound found in plants and used in plant-pathogen recognition. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | CC(=O)C1=CC(=C(C(=C1)OC)O)OC |
InChI: | InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3 |
InChI Key: | OJOBTAOGJIWAGB-UHFFFAOYSA-N |
Boiling Point: | 334.7 °C |
Melting Point: | 123-128 °C |
Purity: | 95 % |
Density: | 1.172 g/cm3 |
Appearance: | Light brown powder. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008748 |
LogP: | 1.61200 |
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 |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22940149 | 20121115 | The use of a radial basis neural network and genetic algorithm for improving the efficiency of laccase-mediated dye decolourization | Journal of biotechnology |
22610523 | 20121001 | A versatile Agrobacterium-mediated transient gene expression system for herbaceous plants and trees | Biochemical genetics |
22534683 | 20120801 | Agroinfiltration of intact leaves as a method for the transient and stable transformation of saponin producing Maesa lanceolata | Plant cell reports |
21868217 | 20120701 | Characterization and dye decolorization ability of an alkaline resistant and organic solvents tolerant laccase from Bacillus licheniformis LS04 | Bioresource technology |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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