Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl-

3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid

CAS: 118-07-0

Molecular Formula	`C11H12N2O4S`
Molecular Weight	268.29 g/mol
LogP	0.4
Topological Polar Surface Area	95.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	268.0518
Heavy Atoms	18
Complexity	480.0

Chemical Identifiers

CAS Number	118-07-0
SMILES	`CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)C`
InChIKey	`AJPUJTAMBSRTEG-UHFFFAOYSA-N`

📖 Product Overview

Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-3-methyl- (CAS: 118-07-0) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.29 g/mol. Its IUPAC systematic name is 3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid. LogP 0.4 Topological Polar Surface Area 95.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 268.0518 Heavy Atoms 18 Complexity 480.0 InChI Key: AJPUJTAMBSRTEG-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1)C2=C(C=C(C=C2)S(=O)(=O)O)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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