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3949-36-8 | 8-ACETYL DIMETHOXYCOUMARIN
CAS No: 3949-36-8 Catalog No: AG003NH7 MDL No:MFCD00006853
Product Description
Catalog Number:
AG003NH7
Chemical Name:
8-ACETYL DIMETHOXYCOUMARIN
CAS Number:
3949-36-8
Molecular Formula:
C11H8O3
Molecular Weight:
188.1794
MDL Number:
MFCD00006853
IUPAC Name:
3-acetylchromen-2-one
InChI:
InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3
InChI Key:
CSPIFKKOBWYOEX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc2ccccc2oc1=O
EC Number:
223-541-6
UNII:
ID71XJ0D40
NSC Number:
31678
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.182g/mol
Monoisotopic Mass:
188.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Multiple heating rate kinetic parameters, thermal, X-ray diffraction studies of newly synthesized octahedral copper complexes based on bromo-coumarins along with their antioxidant, anti-tubercular and antimicrobial activity evaluation. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001 |
| Synthesis of new substituted chromen[4,3-c]pyrazol-4-ones and their antioxidant activities. | Molecules (Basel, Switzerland) 20111212 |
| Microwave assisted synthesis, spectroscopic, electrochemical and DNA cleavage studies of lanthanide(III) complexes with coumarin based imines. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111201 |
| Synthesis and antioxidant evaluation of some new 3-substituted coumarins. | Archiv der Pharmazie 20111101 |
| Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. | European journal of medicinal chemistry 20111001 |
| The antioxidant activity of new coumarin derivatives. | International journal of molecular sciences 20110101 |
| Spectroscopic, magnetic and thermal studies of Co(II), Ni(II), Cu(II) and Zn(II) complexes of 3-acetylcoumarin-isonicotinoylhydrazone and their antimicrobial and anti-tubercular activity evaluation. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Metal-pyrazolyl diazine interaction: synthesis, structure and electrochemistry of binuclear transition metal(II) complexes derived from an 'end-off' compartmental Schiff base ligand. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100915 |
| (E)-1-[1-(6-Bromo-2-oxo-2H-chromen-3-yl)ethyl-idene]thio-semicarbazide. | Acta crystallographica. Section E, Structure reports online 20100601 |
| alpha-Glucosidase inhibitory antihyperglycemic activity of substituted chromenone derivatives. | Bioorganic & medicinal chemistry 20100101 |
| Synthesis and antitumor studies on novel Co(II), Ni(II) and Cu(II) metal complexes of bis(3-acetylcoumarin)thiocarbohydrazone. | European journal of medicinal chemistry 20081101 |
| Use of Raman spectroscopy as a tool for in situ monitoring of microwave-promoted reactions. | Nature protocols 20080101 |
| Use of Raman spectroscopy as an in situ tool to obtain kinetic data for organic transformations. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Synthesis and evaluation of antiinflammatory and analgesic activities of a novel series of coumarin Mannich bases. | Arzneimittel-Forschung 20080101 |
| Vibrational assignments and electronic structure calculations for 3-acetylcoumarin. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101 |
| Biological activity of 3-formylchromones and related compounds. | In vivo (Athens, Greece) 20070101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Exploring the lower limit in hydrogen bonds: analysis of weak C-H...O and C-H...pi interactions in substituted coumarins from charge density analysis. | The journal of physical chemistry. A 20050203 |
| Synthesis of novel dihydropyridine, dihydropyrimidine, dithioacetal and chalcone derivatives from formylchromones. | Bollettino chimico farmaceutico 20040301 |
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