Home Sulfos 4-(benzenesulfonyl)oxane-4-carboxylic acid

4-(benzenesulfonyl)oxane-4-carboxylic acid

CAS No.:
1153968-63-8
Catalog Number:
AG01BBJD
Molecular Formula:
C12H14O5S
Molecular Weight:
270.3016
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Product Description
Catalog Number:
AG01BBJD
Chemical Name:
4-(benzenesulfonyl)oxane-4-carboxylic acid
CAS Number:
1153968-63-8
Molecular Formula:
C12H14O5S
Molecular Weight:
270.3016
MDL Number:
MFCD12035474
IUPAC Name:
4-(benzenesulfonyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C12H14O5S/c13-11(14)12(6-8-17-9-7-12)18(15,16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)
InChI Key:
AXTZAFCVKMLRKZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCOCC1)S(=O)(=O)c1ccccc1
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.056g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.299g/mol
Monoisotopic Mass:
270.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties