Home Sulfos 3-[(benzenesulfonyl)methyl]furan-2-carboxylic acid

3-[(benzenesulfonyl)methyl]furan-2-carboxylic acid

CAS No.:
260356-96-5
Catalog Number:
AG019PMH
Molecular Formula:
C12H10O5S
Molecular Weight:
266.2698
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Product Description
Catalog Number:
AG019PMH
Chemical Name:
3-[(benzenesulfonyl)methyl]furan-2-carboxylic acid
CAS Number:
260356-96-5
Molecular Formula:
C12H10O5S
Molecular Weight:
266.2698
MDL Number:
MFCD08245283
IUPAC Name:
3-(benzenesulfonylmethyl)furan-2-carboxylic acid
InChI:
InChI=1S/C12H10O5S/c13-12(14)11-9(6-7-17-11)8-18(15,16)10-4-2-1-3-5-10/h1-7H,8H2,(H,13,14)
InChI Key:
YAXYZFVAHPQTBF-UHFFFAOYSA-N
SMILES:
OC(=O)c1occc1CS(=O)(=O)c1ccccc1
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.025g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.267g/mol
Monoisotopic Mass:
266.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties