Home Sulfos 2-(3-cyanobenzenesulfonamido)acetic acid

2-(3-cyanobenzenesulfonamido)acetic acid

CAS No.:
743452-18-8
Catalog Number:
AG019JCD
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
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Product Description
Catalog Number:
AG019JCD
Chemical Name:
2-(3-cyanobenzenesulfonamido)acetic acid
CAS Number:
743452-18-8
Molecular Formula:
C9H8N2O4S
Molecular Weight:
240.2358
MDL Number:
MFCD05263741
IUPAC Name:
2-[(3-cyanophenyl)sulfonylamino]acetic acid
InChI:
InChI=1S/C9H8N2O4S/c10-5-7-2-1-3-8(4-7)16(14,15)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
InChI Key:
IBTHZKXOXSLPET-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)NCC(=O)O
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.02g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.233g/mol
Monoisotopic Mass:
240.02g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties