Home Sulfos 2-(methoxycarbonyl)benzenesulfonic acid

2-(methoxycarbonyl)benzenesulfonic acid

CAS No.:
57897-77-5
Catalog Number:
AG00IAAT
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$438
- +
5g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00IAAT
Chemical Name:
2-(methoxycarbonyl)benzenesulfonic acid
CAS Number:
57897-77-5
Molecular Formula:
C8H8O5S
Molecular Weight:
216.2111
MDL Number:
MFCD27578460
IUPAC Name:
2-methoxycarbonylbenzenesulfonic acid
InChI:
InChI=1S/C8H8O5S/c1-13-8(9)6-4-2-3-5-7(6)14(10,11)12/h2-5H,1H3,(H,10,11,12)
InChI Key:
FLCUEXJOTNUYJB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1S(=O)(=O)O
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.207g/mol
Monoisotopic Mass:
216.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties