Home Sulfos 2-(N-methyl2-cyanobenzenesulfonamido)acetic acid

2-(N-methyl2-cyanobenzenesulfonamido)acetic acid

CAS No.:
1000931-63-4
Catalog Number:
AG019L4W
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
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Product Description
Catalog Number:
AG019L4W
Chemical Name:
2-(N-methyl2-cyanobenzenesulfonamido)acetic acid
CAS Number:
1000931-63-4
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
MDL Number:
MFCD09863308
IUPAC Name:
2-[(2-cyanophenyl)sulfonyl-methylamino]acetic acid
InChI:
InChI=1S/C10H10N2O4S/c1-12(7-10(13)14)17(15,16)9-5-3-2-4-8(9)6-11/h2-5H,7H2,1H3,(H,13,14)
InChI Key:
LXMBCBUAKUOGNH-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1S(=O)(=O)N(CC(=O)O)C
Properties
Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.036g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties