Home Sulfos 3-((2-hydroxyethyl)sulfonyl)benzoic acid

3-((2-hydroxyethyl)sulfonyl)benzoic acid

CAS No.:
7180-11-2
Catalog Number:
AG01BRVA
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
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Product Description
Catalog Number:
AG01BRVA
Chemical Name:
3-((2-hydroxyethyl)sulfonyl)benzoic acid
CAS Number:
7180-11-2
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
MDL Number:
MFCD11179726
IUPAC Name:
3-(2-hydroxyethylsulfonyl)benzoic acid
InChI:
InChI=1S/C9H10O5S/c10-4-5-15(13,14)8-3-1-2-7(6-8)9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChI Key:
HSVFBXFMZUNBGV-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1cccc(c1)C(=O)O
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.234g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties