Home Sulfos 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid, sodium salt

5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid, sodium salt

CAS No.:
6628-37-1
Catalog Number:
AG019FWB
Molecular Formula:
C14H12NaO6S
Molecular Weight:
331.2963
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%(HPLC)
In Stock USA
United States
$226
- +
1g
98%(HPLC)
In Stock USA
United States
$743
- +
Product Description
Catalog Number:
AG019FWB
Chemical Name:
5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid, sodium salt
CAS Number:
6628-37-1
Molecular Formula:
C14H12NaO6S
Molecular Weight:
331.2963
MDL Number:
MFCD00065085
IUPAC Name:
sodium;5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate
InChI:
InChI=1S/C14H12O6S.Na/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9;/h2-8,15H,1H3,(H,17,18,19);/q;+1/p-1
InChI Key:
KJCLYACXIWMFCC-UHFFFAOYSA-M
SMILES:
COc1cc(O)c(cc1S(=O)(=O)O)C(=O)c1ccccc1.[Na]
UNII:
853Z42ZYAS
Properties
Complexity:
468  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.017g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.286g/mol
Monoisotopic Mass:
330.017g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties