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29413-61-4 | Propanoic acid, 2-(2,4-dichlorophenoxy)-, magnesium salt (2:1)
CAS No: 29413-61-4 Catalog No: AG002YAL MDL No:
Product Description
Catalog Number:
AG002YAL
Chemical Name:
Propanoic acid, 2-(2,4-dichlorophenoxy)-, magnesium salt (2:1)
CAS Number:
29413-61-4
Molecular Formula:
C18H14Cl4MgO6
Molecular Weight:
492.4172
IUPAC Name:
magnesium;2-(2,4-dichlorophenoxy)propanoate
InChI:
InChI=1S/2C9H8Cl2O3.Mg/c2*1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2*2-5H,1H3,(H,12,13);/q;;+2/p-2
InChI Key:
PVAAOBAQAZXOQT-UHFFFAOYSA-L
SMILES:
[O-]C(=O)C(Oc1ccc(cc1Cl)Cl)C.[O-]C(=O)C(Oc1ccc(cc1Cl)Cl)C.[Mg+2]
EC Number:
249-610-0
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.937g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.409g/mol
Monoisotopic Mass:
489.939g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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