Home Sulfos p-Chlorosulfonyldihydrocinnamic acid

p-Chlorosulfonyldihydrocinnamic acid

CAS No.:
63545-54-0
Catalog Number:
AG00EA24
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$100
- +
5g
90%
In Stock USA
United States
$350
- +
10g
90%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00EA24
Chemical Name:
p-Chlorosulfonyldihydrocinnamic acid
CAS Number:
63545-54-0
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD02179510
IUPAC Name:
3-(4-chlorosulfonylphenyl)propanoic acid
InChI:
InChI=1S/C9H9ClO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key:
INJMPXHPNFJMLG-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties