Home Sulfos 4-methoxy-3-(morpholine-4-sulfonyl)benzoic acid

4-methoxy-3-(morpholine-4-sulfonyl)benzoic acid

CAS No.:
299181-33-2
Catalog Number:
AG00I5K1
Molecular Formula:
C12H15NO6S
Molecular Weight:
301.3156
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Product Description
Catalog Number:
AG00I5K1
Chemical Name:
4-methoxy-3-(morpholine-4-sulfonyl)benzoic acid
CAS Number:
299181-33-2
Molecular Formula:
C12H15NO6S
Molecular Weight:
301.3156
MDL Number:
MFCD00760911
IUPAC Name:
4-methoxy-3-morpholin-4-ylsulfonylbenzoic acid
InChI:
InChI=1S/C12H15NO6S/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChI Key:
CIMGPVLMSMHBMD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)O
Properties
Complexity:
439  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.062g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.313g/mol
Monoisotopic Mass:
301.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties