Home Sulfos 2-benzyl-3-(tert-butylsulfonyl)propanoic acid

2-benzyl-3-(tert-butylsulfonyl)propanoic acid

CAS No.:
114469-25-9
Catalog Number:
AG01DIWE
Molecular Formula:
C14H20O4S
Molecular Weight:
284.3712
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DIWE
Chemical Name:
2-benzyl-3-(tert-butylsulfonyl)propanoic acid
CAS Number:
114469-25-9
Molecular Formula:
C14H20O4S
Molecular Weight:
284.3712
IUPAC Name:
2-benzyl-3-tert-butylsulfonylpropanoic acid
InChI:
InChI=1S/C14H20O4S/c1-14(2,3)19(17,18)10-12(13(15)16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,15,16)
InChI Key:
NVWAUJPSUAZNNS-UHFFFAOYSA-N
SMILES:
OC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.108g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
284.37g/mol
Monoisotopic Mass:
284.108g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties