Home Sulfos 1-methyl-1H-pyrazole-4-sulfonic acid

1-methyl-1H-pyrazole-4-sulfonic acid

CAS No.:
1798770-47-4
Catalog Number:
AG01BGSA
Molecular Formula:
C4H6N2O3S
Molecular Weight:
162.1670
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Product Description
Catalog Number:
AG01BGSA
Chemical Name:
1-methyl-1H-pyrazole-4-sulfonic acid
CAS Number:
1798770-47-4
Molecular Formula:
C4H6N2O3S
Molecular Weight:
162.1670
MDL Number:
MFCD25368871
IUPAC Name:
1-methylpyrazole-4-sulfonic acid
InChI:
InChI=1S/C4H6N2O3S/c1-6-3-4(2-5-6)10(7,8)9/h2-3H,1H3,(H,7,8,9)
InChI Key:
WHYASBKVZHKQTN-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)S(=O)(=O)O
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.01g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.163g/mol
Monoisotopic Mass:
162.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  
Properties