Home Sulfos 4-methanesulfonamido-2-methylbenzoic acid

4-methanesulfonamido-2-methylbenzoic acid

CAS No.:
960324-76-9
Catalog Number:
AG01B507
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
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Product Description
Catalog Number:
AG01B507
Chemical Name:
4-methanesulfonamido-2-methylbenzoic acid
CAS Number:
960324-76-9
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD16117800
IUPAC Name:
4-(methanesulfonamido)-2-methylbenzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-6-5-7(10-15(2,13)14)3-4-8(6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
AQMPSJKNYOITCR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)NS(=O)(=O)C
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