DTXSID90863227

3-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid

CAS: 14954-75-7

Molecular Formula	`C20H16N4O5S`
Molecular Weight	424.4 g/mol
LogP	3.0
Topological Polar Surface Area	140.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	424.08414
Heavy Atoms	30
Complexity	818.0

Chemical Identifiers

CAS Number	14954-75-7
SMILES	`CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C4=CC=CC=C4`
InChIKey	`GQCUEANXEKPQGU-UHFFFAOYSA-N`

📖 Product Overview

DTXSID90863227 (CAS: 14954-75-7) is a chemical compound with molecular formula C20H16N4O5S and molecular weight 424.4 g/mol. Its IUPAC systematic name is 3-hydroxy-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid. LogP 3.0 Topological Polar Surface Area 140.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 424.08414 Heavy Atoms 30 Complexity 818.0 InChI Key: GQCUEANXEKPQGU-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C4=CC=CC=C4.

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