Home Sulfos 2-Methoxy-5-(ethylsulfonyl)benzoic acid

2-Methoxy-5-(ethylsulfonyl)benzoic acid

CAS No.:
4840-63-5
Catalog Number:
AG00I8SA
Molecular Formula:
C10H12O5S
Molecular Weight:
244.2643
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$421
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Product Description
Catalog Number:
AG00I8SA
Chemical Name:
2-Methoxy-5-(ethylsulfonyl)benzoic acid
CAS Number:
4840-63-5
Molecular Formula:
C10H12O5S
Molecular Weight:
244.2643
MDL Number:
MFCD01317546
IUPAC Name:
5-ethylsulfonyl-2-methoxybenzoic acid
InChI:
InChI=1S/C10H12O5S/c1-3-16(13,14)7-4-5-9(15-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
NBFYWQQYIJTQQV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)O)S(=O)(=O)CC
EC Number:
225-426-6
Properties
Complexity:
343  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.261g/mol
Monoisotopic Mass:
244.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties