Home Sulfos 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

CAS No.:
89-36-1
Catalog Number:
AG003D13
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>97.0%(T)
1 week
United States
$88
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Product Description
Catalog Number:
AG003D13
Chemical Name:
4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
CAS Number:
89-36-1
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
MDL Number:
MFCD00020756
IUPAC Name:
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
InChI:
InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,14,15,16)
InChI Key:
CWJQQASJVVAXKL-UHFFFAOYSA-N
SMILES:
O=C1CC(=NN1c1ccc(cc1)S(=O)(=O)O)C
EC Number:
201-901-3
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties