Acid chrome blue K

C₁₆H₉N₂Na₃O₁₂S₃CAS 3270-25-5586.40 g/mol

Open in Covalent MOL file

Azo Phenol Sulfonic acid

Properties

Molecular formula: C₁₆H₉N₂Na₃O₁₂S₃
Molar mass: 586.40 g/mol
Exact mass: 585.9011 Da
logP: -7.90Crippen estimate
Polar surface area: 257.0 Å²
H-bond donors / acceptors: 3 / 14
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3270-25-5

SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)O.[Na+].[Na+].[Na+]

InChIKey

XHCCWBJFZUXJBV-UHFFFAOYSA-K

InChI

InChI=1S/C16H12N2O12S3.3Na/c19-11-2-1-8(31(22,23)24)5-10(11)17-18-15-13(33(28,29)30)4-7-3-9(32(25,26)27)6-12(20)14(7)16(15)21;;;/h1-6,19-21H,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3

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Work with Acid chrome blue K

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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