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407640-21-5,MFCD03411194
Catalog No.:AA003I6E
407640-21-5 | 3-(Methanesulfonylamino)phenylacetic acid
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Purity
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250mg
95%
in stock  
$258.00   $180.00
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1g
95%
in stock  
$794.00   $556.00
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5g
95%
in stock  
$2,254.00   $1,578.00
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  • Technical Information
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Technical Information
Catalog Number:
AA003I6E
Chemical Name:
3-(Methanesulfonylamino)phenylacetic acid
CAS Number:
407640-21-5
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD03411194
IUPAC Name:
2-[3-(methanesulfonamido)phenyl]acetic acid
InChI:
InChI=1S/C9H11NO4S/c1-15(13,14)10-8-4-2-3-7(5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChI Key:
BIOUAIZBGSFDIS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)NS(=O)(=O)C
Properties
Computed Properties
 
Complexity:
320  
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:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  

Synonyms
 
407640-21-5 
3-(methylsulphonylamino)phenylacetic acid 
CTK4I3714 
DTXSID30378764 
BIOUAIZBGSFDIS-UHFFFAOYSA-N 
KS-00000CE5 
ZINC2524682 
5723AJ 
MFCD03411194 
AKOS009158020 
(3-methanesulfonamidophenyl)acetic acid 
MCULE-1802782944 
2-(3-(Methylsulfonamido)phenyl)acetic acid 
PS-3368 
TRA0069923 
3-(Methylsulphonylamino)phenylaceticAcid 
SY003554 
3-[(methylsulfonyl)amino]Benzeneacetic acid 
AB0065851 
DB-070083 
RT-008495 
2-[3-(methanesulfonamido)phenyl]acetic acid 
FT-0712207 
3-(METHANESULFONYLAMINO)PHENYLACETIC ACID 
{3-[(Methanesulfonyl)amino]phenyl}acetic acid 
EN300-71258 
K-8679 
N-[(3-Carboxymethyl)phenyl]methanesulphonamide 
MFCD03411194 (95+%) 
Z1270312068 
C9H11NO4S 
CID2773885 
110-12-3 
2-(3-methanesulfonamidophenyl)acetic Acid 
{3-[(Methylsulfonyl)amino]phenyl}acetic acid 
Benzeneacetic acid, 3-[(methylsulfonyl)amino]- 
AC1MCNLU 
AC1Q4GPL 
SCHEMBL2767758 
Literature
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