Name: Name:5-methanesulfonyl-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG009YMS
Rating: 90 (10 reviews)

5-methanesulfonyl-1-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1227070-38-3

Catalog Number:

AG009YMS

Molecular Formula:

C6H8N2O4S

Molecular Weight:

204.2037

Catalog Number:

AG009YMS

Chemical Name:

5-methanesulfonyl-1-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1227070-38-3

Molecular Formula:

C6H8N2O4S

Molecular Weight:

204.2037

MDL Number:

MFCD19441508

IUPAC Name:

1-methyl-5-methylsulfonylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C6H8N2O4S/c1-8-5(13(2,11)12)4(3-7-8)6(9)10/h3H,1-2H3,(H,9,10)

InChI Key:

MLQKTFBKKHROKH-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1S(=O)(=O)C)C

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

204.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

204.2g/mol

Monoisotopic Mass:

204.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7