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220798-39-0,MFCD15527275
Catalog No.:AA003I69
220798-39-0 | 3-(Methylsulfonyl)benzyl alcohol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$93.00   $65.00
- +
1g
96%
in stock  
$272.00   $190.00
- +
5g
96%
in stock  
$881.00   $617.00
- +
10g
96%
in stock  
$1,302.00   $912.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003I69
Chemical Name:
3-(Methylsulfonyl)benzyl alcohol
CAS Number:
220798-39-0
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD15527275
IUPAC Name:
(3-methylsulfonylphenyl)methanol
InChI:
InChI=1S/C8H10O3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5,9H,6H2,1H3
InChI Key:
XFMFNVYEANZUHC-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  

Synonyms
 
220798-39-0 
3-(Methylsulfonyl)benzyl alcohol 
3-methylsulfonyl benzyl alcohol 
3-Methanesulfonyl benzyl alcohol 
CTK0J6747 
DTXSID90634914 
XFMFNVYEANZUHC-UHFFFAOYSA-N 
(3-methanesulfonyl)phenyl methanol 
(3-methanesulfonyl-phenyl)-methanol 
(3-methanesulphonyl-phenyl)-methanol 
ANW-24705 
MFCD15527275 
(3-(METHYLSULFONYL)PHENYL)METHANOL 
ZINC82046803 
AKOS016001885 
TRA0001972 
AK100819 
AS-31883 
CJ-22050 
SY011644 
AB0066583 
AJ-124498 
ST2407953 
Benzenemethanol, 3-(methylsulfonyl)- 
TC-113450 
FT-0718162 
V4438 
Z-4120 
MFCD15527275 (97+%) 
C8H10O3S 
ACN-031437 
1016-05-3 
(3-methanesulfonylphenyl)methanol 
[3-(methylsulfonyl)phenyl]methanol 
[3-(Methanesulfonyl)phenyl]methanol 
ACMC-209frn 
SCHEMBL646928 
3-Methylsulfonylbenzenemethanol 
Literature
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