Name: Name:1H-Pyrazole-4-sulfonic acid, 3,5-dimethyl-
Brand: Angene
SKU: AG0040R9
Rating: 90 (10 reviews)

1H-Pyrazole-4-sulfonic acid, 3,5-dimethyl-

CAS No.:

89280-34-2

Catalog Number:

AG0040R9

Molecular Formula:

C5H8N2O3S

Molecular Weight:

176.1936

Catalog Number:

AG0040R9

Chemical Name:

1H-Pyrazole-4-sulfonic acid, 3,5-dimethyl-

CAS Number:

89280-34-2

Molecular Formula:

C5H8N2O3S

Molecular Weight:

176.1936

MDL Number:

MFCD00463579

IUPAC Name:

3,5-dimethyl-1H-pyrazole-4-sulfonic acid

InChI:

InChI=1S/C5H8N2O3S/c1-3-5(11(8,9)10)4(2)7-6-3/h1-2H3,(H,6,7)(H,8,9,10)

InChI Key:

XWDFGELFGLFBNB-UHFFFAOYSA-N

SMILES:

Cc1[nH]nc(c1S(=O)(=O)O)C

Complexity:

233

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.19g/mol

Monoisotopic Mass:

176.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2