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Home Other Building Blocks 3-ACETYL-7-HYDROXY-2H-CHROMEN-2-ONE

3-ACETYL-7-HYDROXY-2H-CHROMEN-2-ONE

CAS No.:
10441-27-7
Catalog Number:
AG008T30
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
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Product Description
Catalog Number:
AG008T30
Chemical Name:
3-ACETYL-7-HYDROXY-2H-CHROMEN-2-ONE
CAS Number:
10441-27-7
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
MDL Number:
MFCD00037379
IUPAC Name:
3-acetyl-7-hydroxychromen-2-one
InChI:
InChI=1S/C11H8O4/c1-6(12)9-4-7-2-3-8(13)5-10(7)15-11(9)14/h2-5,13H,1H3
InChI Key:
BRQZHMHHZLRXOO-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2)C(=O)C
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. European journal of medicinal chemistry 20111001
Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1. Journal of medicinal chemistry 20110113
An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorganic & medicinal chemistry 20100715
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
Antimicrobial evaluation of coumarins and flavonoids from the stems of Daphne gnidium L. Phytomedicine : international journal of phytotherapy and phytopharmacology 20010701
Coumarin and chromen-4-one analogues as tautomerase inhibitors of macrophage migration inhibitory factor: discovery and X-ray crystallography. Journal of medicinal chemistry 20010215
Properties