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Home Other Building Blocks 3-Cyano-7-hydroxycoumarin

3-Cyano-7-hydroxycoumarin

CAS No.:
19088-73-4
Catalog Number:
AG002EW2
Molecular Formula:
C10H5NO3
Molecular Weight:
187.1516
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$303
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Product Description
Catalog Number:
AG002EW2
Chemical Name:
3-Cyano-7-hydroxycoumarin
CAS Number:
19088-73-4
Molecular Formula:
C10H5NO3
Molecular Weight:
187.1516
MDL Number:
MFCD00037480
IUPAC Name:
7-hydroxy-2-oxochromene-3-carbonitrile
InChI:
InChI=1S/C10H5NO3/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4,12H
InChI Key:
IJQYTHQDUDCJEQ-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccc(cc2oc1=O)O
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.027g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.154g/mol
Monoisotopic Mass:
187.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Bioactive hydroperoxyl cembranoids from the Red Sea soft coral Sarcophyton glaucum. Marine drugs 20120101
The molecular basis for the broad substrate specificity of human sulfotransferase 1A1. PloS one 20110101
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