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Home Aldehydes 3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde

3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde

CAS No.:
103593-79-9
Catalog Number:
AG019GT2
Molecular Formula:
C19H12N2O3
Molecular Weight:
316.3102
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Product Description
Catalog Number:
AG019GT2
Chemical Name:
3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
103593-79-9
Molecular Formula:
C19H12N2O3
Molecular Weight:
316.3102
MDL Number:
MFCD01238731
IUPAC Name:
3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C19H12N2O3/c22-12-14-11-21(15-7-2-1-3-8-15)20-18(14)16-10-13-6-4-5-9-17(13)24-19(16)23/h1-12H
InChI Key:
RIRMCVUMCVWVMG-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1cc2ccccc2oc1=O)c1ccccc1
Properties
Complexity:
527  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.085g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.316g/mol
Monoisotopic Mass:
316.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
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