Home Sulfos 3-MethanesulfonaMido-4-Methylbenzoic acid

3-MethanesulfonaMido-4-Methylbenzoic acid

CAS No.:
450368-33-9
Catalog Number:
AG00E64U
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00E64U
Chemical Name:
3-MethanesulfonaMido-4-Methylbenzoic acid
CAS Number:
450368-33-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD09049488
IUPAC Name:
3-(methanesulfonamido)-4-methylbenzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-6-3-4-7(9(11)12)5-8(6)10-15(2,13)14/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
QIQLVVVOWQKYAU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1NS(=O)(=O)C)C(=O)O
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties