Home Sulfos 2-(4-sulfophenyl)acetic acid

2-(4-sulfophenyl)acetic acid

CAS No.:
153661-28-0
Catalog Number:
AG01AP6O
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
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Product Description
Catalog Number:
AG01AP6O
Chemical Name:
2-(4-sulfophenyl)acetic acid
CAS Number:
153661-28-0
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
MDL Number:
MFCD24395559
IUPAC Name:
2-(4-sulfophenyl)acetic acid
InChI:
InChI=1S/C8H8O5S/c9-8(10)5-6-1-3-7(4-2-6)14(11,12)13/h1-4H,5H2,(H,9,10)(H,11,12,13)
InChI Key:
KGJGWDQUGUEMIW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
216.207g/mol
Monoisotopic Mass:
216.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties