Home Sulfos 2-Hydroxy-5-(methylsulfonyl)benzoic acid

2-Hydroxy-5-(methylsulfonyl)benzoic acid

CAS No.:
68029-77-6
Catalog Number:
AG00FEE3
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
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Product Description
Catalog Number:
AG00FEE3
Chemical Name:
2-Hydroxy-5-(methylsulfonyl)benzoic acid
CAS Number:
68029-77-6
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
MDL Number:
MFCD13190323
IUPAC Name:
2-hydroxy-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H8O5S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:
QOSVPLTVKMHNQV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1O)S(=O)(=O)C
Properties
Complexity:
315  
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:
2  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties