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Home > Pyridines > 1443987-59-4
1443987-59-4 | potassium 3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoate
CAS No: 1443987-59-4 Catalog No: AG01A5GN MDL No:MFCD24842900
Product Description
Catalog Number:
AG01A5GN
Chemical Name:
potassium 3-[1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl]prop-2-enoate
CAS Number:
1443987-59-4
Molecular Formula:
C17H12KN3O2
Molecular Weight:
329.3944
MDL Number:
MFCD24842900
IUPAC Name:
potassium;3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate
InChI:
InChI=1S/C17H13N3O2.K/c21-16(22)9-8-14-12-20(15-6-2-1-3-7-15)19-17(14)13-5-4-10-18-11-13;/h1-12H,(H,21,22);/q;+1/p-1
InChI Key:
WVWCTDCWRWTLEA-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C=Cc1cn(nc1c1cccnc1)c1ccccc1.[K+]
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.4g/mol
Monoisotopic Mass:
329.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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