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Home Other Building Blocks 4-Acetamidobenzenesulfinic acid sodium salt dihydrate

4-Acetamidobenzenesulfinic acid sodium salt dihydrate

CAS No.:
15898-43-8
Catalog Number:
AG001R2O
Molecular Formula:
C8H8NNaO3S
Molecular Weight:
221.2088
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(T)
1 week
United States
$300
- +
25g
>98.0%(T)
1 week
United States
$913
- +
Product Description
Catalog Number:
AG001R2O
Chemical Name:
4-Acetamidobenzenesulfinic acid sodium salt dihydrate
CAS Number:
15898-43-8
Molecular Formula:
C8H8NNaO3S
Molecular Weight:
221.2088
MDL Number:
MFCD00054648
IUPAC Name:
sodium;4-acetamidobenzenesulfinate
InChI:
InChI=1S/C8H9NO3S.Na/c1-6(10)9-7-2-4-8(5-3-7)13(11)12;/h2-5H,1H3,(H,9,10)(H,11,12);/q;+1/p-1
InChI Key:
CPCFZBOTLAEGND-UHFFFAOYSA-M
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)[O-].[Na+]
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.206g/mol
Monoisotopic Mass:
221.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties