12269-95-3 Purity
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Specification
The PubChem CID of Acid Yellow 118 is 73160575.
The molecular formula of Acid Yellow 118 is C34H25CrN8O6.
The synonyms of Acid Yellow 118 include Acid yellow 121, Acid Yellow 118, 12270-05-2, 12220-77-8, and 12235-24-4.
The molecular weight of Acid Yellow 118 is 693.6 g/mol.
The parent compound of Acid Yellow 118 is CID 162386 (o-(5-Hydroxy-3-methyl-1-phenyl-4-pyrazolylazo)benzoic acid).
The component compounds of Acid Yellow 118 are CID 162386 (o-(5-Hydroxy-3-methyl-1-phenyl-4-pyrazolylazo)benzoic acid), CID 783 (Hydrogen), and CID 23976 (Chromium).
The IUPAC name of Acid Yellow 118 is chromium(3+);hydron;2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate.
The InChI of Acid Yellow 118 is InChI=1S/2C17H14N4O3.Cr/c2*1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24;/h2*2-10,22H,1H3,(H,23,24);/q;;+3/p-3.
The InChIKey of Acid Yellow 118 is RJZTWVYOORNGFM-UHFFFAOYSA-K.
Yes, Acid Yellow 118 is a canonicalized compound according to PubChem.
The canonical SMILES of Acid Yellow 118 is [H+].CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Cr+3].
The CAS number of Acid Yellow 118 is 5601-29-6.
The hydrogen bond donor count of Acid Yellow 118 is 1.
The hydrogen bond acceptor count of Acid Yellow 118 is 12.
The topological polar surface area of Acid Yellow 118 is 212?2.
The molecular formula for Acid Yellow 118 is C34H25CrN8O6.
The synonyms for Acid Yellow 118 include Acid yellow 121 and Acid Yellow 118.