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1197193-19-3 | Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)-
CAS No: 1197193-19-3 Catalog No: AG000PIX MDL No:MFCD13191608
Product Description
Catalog Number:
AG000PIX
Chemical Name:
Benzoic acid, 4-(methylsulfonyl)-3-(4-morpholinyl)-
CAS Number:
1197193-19-3
Molecular Formula:
C12H15NO5S
Molecular Weight:
285.3162
MDL Number:
MFCD13191608
IUPAC Name:
4-methylsulfonyl-3-morpholin-4-ylbenzoic acid
InChI:
InChI=1S/C12H15NO5S/c1-19(16,17)11-3-2-9(12(14)15)8-10(11)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)
InChI Key:
KGBOPGFDGBEMSK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N1CCOCC1)S(=O)(=O)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.314g/mol
Monoisotopic Mass:
285.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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