Home Sulfos 2-[(3-cyanophenyl)methanesulfonamido]acetic acid

2-[(3-cyanophenyl)methanesulfonamido]acetic acid

CAS No.:
1099113-52-6
Catalog Number:
AG01AK01
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
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Product Description
Catalog Number:
AG01AK01
Chemical Name:
2-[(3-cyanophenyl)methanesulfonamido]acetic acid
CAS Number:
1099113-52-6
Molecular Formula:
C10H10N2O4S
Molecular Weight:
254.2624
MDL Number:
MFCD03423096
IUPAC Name:
2-[(3-cyanophenyl)methylsulfonylamino]acetic acid
InChI:
InChI=1S/C10H10N2O4S/c11-5-8-2-1-3-9(4-8)7-17(15,16)12-6-10(13)14/h1-4,12H,6-7H2,(H,13,14)
InChI Key:
UIQJTDHCLLOOFQ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)CS(=O)(=O)NCC(=O)O
Properties
Complexity:
417  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
254.26g/mol
Monoisotopic Mass:
254.036g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties