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

CAS: 119-17-5

Molecular Formula	`C10H10N2O4S`
Molecular Weight	254.26 g/mol
Topological Polar Surface Area	95.4 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	254.03613
Heavy Atoms	17
Complexity	451.0

Chemical Identifiers

CAS Number	119-17-5
SMILES	`CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O`
InChIKey	`VEMGKBUHUTYHHA-UHFFFAOYSA-N`

📖 Product Overview

3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid (CAS: 119-17-5) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.26 g/mol. Its IUPAC systematic name is 3-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid. Topological Polar Surface Area 95.4 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 254.03613 Heavy Atoms 17 Complexity 451.0 InChI Key: VEMGKBUHUTYHHA-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1)C2=CC(=CC=C2)S(=O)(=O)O.

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