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Home Carboxys Ethyl 7-methoxy-2-oxochromene-3-carboxylate

Ethyl 7-methoxy-2-oxochromene-3-carboxylate

CAS No.:
6093-72-7
Catalog Number:
AG00IARX
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$525
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Product Description
Catalog Number:
AG00IARX
Chemical Name:
Ethyl 7-methoxy-2-oxochromene-3-carboxylate
CAS Number:
6093-72-7
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
MDL Number:
MFCD00598298
IUPAC Name:
ethyl 7-methoxy-2-oxochromene-3-carboxylate
InChI:
InChI=1S/C13H12O5/c1-3-17-12(14)10-6-8-4-5-9(16-2)7-11(8)18-13(10)15/h4-7H,3H2,1-2H3
InChI Key:
FWFVXBZXJKTVGL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccc(cc2oc1=O)OC
Properties
Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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
Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. Journal of medicinal chemistry 20100114
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
Properties