15876-56-9 Purity
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Specification
The molecular formula of Solvent Yellow 93 is C21H18N4O2.
The molecular weight of Solvent Yellow 93 is 358.4 g/mol.
The IUPAC name of Solvent Yellow 93 is (4E)-5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one.
The InChI of Solvent Yellow 93 is InChI=1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3/b19-13+.
The InChIKey of Solvent Yellow 93 is QPAPQRFSPBUJAU-CPNJWEJPSA-N.
The canonical SMILES of Solvent Yellow 93 is CC1=NN(C(=O)C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4.
The CAS number of Solvent Yellow 93 is 4702-90-3.
The XLogP3-AA value of Solvent Yellow 93 is 2.8.
Solvent Yellow 93 has 4 hydrogen bond acceptors.
Solvent Yellow 93 has 3 rotatable bonds.
The InChI key of Solvent Yellow 93 is QPAPQRFSPBUJAU-CPNJWEJPSA-N.
Solvent Yellow 93 has 0 hydrogen bond donor counts.
Solvent Yellow 93 has 4 hydrogen bond acceptor counts.
Solvent Yellow 93 has 3 rotatable bond counts.