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29243-46-7 | Benzoic acid, 4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1)
CAS No: 29243-46-7 Catalog No: AG002XU9 MDL No:
Product Description
Catalog Number:
AG002XU9
Chemical Name:
Benzoic acid, 4-[(dipropylamino)sulfonyl]-, magnesium salt (2:1)
CAS Number:
29243-46-7
Molecular Formula:
C26H36MgN2O8S2
Molecular Weight:
593.0076
IUPAC Name:
magnesium;4-(dipropylsulfamoyl)benzoate
InChI:
InChI=1S/2C13H19NO4S.Mg/c2*1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;/h2*5-8H,3-4,9-10H2,1-2H3,(H,15,16);/q;;+2/p-2
InChI Key:
MPLGKWAFXWWLMP-UHFFFAOYSA-L
SMILES:
CCCN(S(=O)(=O)c1ccc(cc1)C(=O)[O-])CCC.CCCN(S(=O)(=O)c1ccc(cc1)C(=O)[O-])CCC.[Mg+2]
EC Number:
249-532-7
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.176g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
593.005g/mol
Monoisotopic Mass:
592.176g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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