Home Sulfos 4-(cyclopentanesulfonyl)benzoic acid

4-(cyclopentanesulfonyl)benzoic acid

CAS No.:
860697-74-1
Catalog Number:
AG01A86L
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A86L
Chemical Name:
4-(cyclopentanesulfonyl)benzoic acid
CAS Number:
860697-74-1
Molecular Formula:
C12H14O4S
Molecular Weight:
254.3022
MDL Number:
MFCD09940123
IUPAC Name:
4-cyclopentylsulfonylbenzoic acid
InChI:
InChI=1S/C12H14O4S/c13-12(14)9-5-7-11(8-6-9)17(15,16)10-3-1-2-4-10/h5-8,10H,1-4H2,(H,13,14)
InChI Key:
HILDSQMINZBXHC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)C1CCCC1
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.3g/mol
Monoisotopic Mass:
254.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties