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Home Sulfos 4-(Methylsulfonyl)benzaldehyde

4-(Methylsulfonyl)benzaldehyde

CAS No.:
5398-77-6
Catalog Number:
AG003445
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003445
Chemical Name:
4-(Methylsulfonyl)benzaldehyde
CAS Number:
5398-77-6
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
MDL Number:
MFCD00216485
IUPAC Name:
4-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChI Key:
PSVPUHBSBYJSMQ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)S(=O)(=O)C
NSC Number:
3011
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
rac-Ethyl 2-amino-3-hy-droxy-3-[4-(methyl-sulfon-yl)phen-yl]propano-ate. Acta crystallographica. Section E, Structure reports online 20110201
4-(Methyl-sulfon-yl)benzaldehyde. Acta crystallographica. Section E, Structure reports online 20091201
Novel drug designing approach for dual inhibitors as anti-inflammatory agents: implication of pyridine template. Biochemical and biophysical research communications 20030131
Properties