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Home Other Building Blocks 3-Cyanocoumarin

3-Cyanocoumarin

CAS No.:
15119-34-3
Catalog Number:
AG003JCB
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥97% (GC)
1 week
United States
$76
- +
5g
≥97% (GC)
1 week
United States
$167
- +
25g
≥97% (GC)
1 week
United States
$553
- +
Product Description
Catalog Number:
AG003JCB
Chemical Name:
3-Cyanocoumarin
CAS Number:
15119-34-3
Molecular Formula:
C10H5NO2
Molecular Weight:
171.1522
MDL Number:
MFCD00115699
IUPAC Name:
2-oxochromene-3-carbonitrile
InChI:
InChI=1S/C10H5NO2/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-5H
InChI Key:
QKJALQPLNMEDAV-UHFFFAOYSA-N
SMILES:
N#Cc1cc2ccccc2oc1=O
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.032g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.155g/mol
Monoisotopic Mass:
171.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Inhibition of amyloid-β aggregation by coumarin analogs can be manipulated by functionalization of the aromatic center. Bioorganic & medicinal chemistry 20110415
Simultaneous measurement of CYP1A2 activity, regioselectivity, and coupling: Implications for environmental sensitivity of enzyme-substrate binding. Archives of biochemistry and biophysics 20110115
Relaxation-assisted two-dimensional infrared (RA 2DIR) method: accessing distances over 10 A and measuring bond connectivity patterns. Accounts of chemical research 20090915
High pressure Diels-Alder approach to hydroxy-substituted 6a-cyano-tetrahydro-6H-benzo[c]chromen-6-ones: a route to delta(6)-cis-cannabidiol. The Journal of organic chemistry 20090605
Antimicrobial activity of two novel coumarin derivatives: 3-cyanonaphtho[1,2-(e)] pyran-2-one and 3-cyanocoumarin. The new microbiologica 20020401
Properties