Home Other Building Blocks 118939-09-6
118939-09-6,MFCD12828709
Catalog No.:AA003HK6
118939-09-6 | 2-Methyl-4-(methylsulfonyl);benzoic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$90.00
- +
5g
95%
in stock  
$278.00
- +
10g
95%
in stock  
$500.00
- +
25g
95%
in stock  
$1,056.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HK6
Chemical Name:
2-Methyl-4-(methylsulfonyl);benzoic acid
CAS Number:
118939-09-6
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD12828709
IUPAC Name:
2-methyl-4-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
WEKZLBGODVDBBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)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:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
2-METHYL-4-(METHYLSULFONYL)BENZOIC ACID 
118939-09-6 
4-methanesulfonyl-2-methylbenzoic acid 
AKOS022183589 
TRA0059557 
AJ-87687 
AS-32490 
SY006347 
AB0065415 
DB-014560 
TC-307133 
FT-0763171 
Benzoic acid, 2-methyl-4-(methylsulfonyl)- 
Z8055 
K-1343 
MFCD12828709 (97+%) 
C9H10O4S 
6854-07-5 
2-Methyl-4-(methylsulfonyl)benzoicAcid 
SCHEMBL1017780 
KS-00000CIE 
WEKZLBGODVDBBZ-UHFFFAOYSA-N 
MFCD12828709 
ZINC34258100 
2-methyl-4-methylsulfonylbenzoic acid 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info: