Home Other Building Blocks 1186663-49-9
1186663-49-9,MFCD12828710
Catalog No.:AA003HJI
1186663-49-9 | 2-Methyl-3-(methylsulfonyl)benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
>97%
in stock  
$199.00   $139.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HJI
Chemical Name:
2-Methyl-3-(methylsulfonyl)benzoic acid
CAS Number:
1186663-49-9
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD12828710
IUPAC Name:
2-methyl-3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O4S/c1-6-7(9(10)11)4-3-5-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11)
InChI Key:
WMALKKDIJHZYRM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.02998g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.24g/mol
Monoisotopic Mass:
214.02998g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8Ų
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
2-METHYL-3-(METHYLSULFONYL)BENZOIC ACID 
1186663-49-9 
ZINC42684407 
3-methanesulfonyl-2-methylbenzoic acid 
AKOS015852474 
TRA0094561 
AS-31979 
SY006348 
AB0065562 
DB-014547 
TR-056635 
FT-0769788 
2-methyl-3-methylsulfonylbenzoic acid 
Z-3985 
MFCD12828710 (97+%) 
3-Methanesulfonylmethyl-benzoic acid 
C9H10O4S 
AJ-104569 
261924-94-1 
2-Methyl-3-(methylsulfonyl)benzoicAcid 
SCHEMBL147992 
CTK7I8808 
KS-00000CIB 
WMALKKDIJHZYRM-UHFFFAOYSA-N 
3-Methanesulfonylmethylbenzoic acid 
5582AJ 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A