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28692-35-5 | Propanoic acid, 2-(2,4-dichlorophenoxy)-, lithium salt (1:1)
CAS No: 28692-35-5 Catalog No: AG002W40 MDL No:
Product Description
Catalog Number:
AG002W40
Chemical Name:
Propanoic acid, 2-(2,4-dichlorophenoxy)-, lithium salt (1:1)
CAS Number:
28692-35-5
Molecular Formula:
C9H7Cl2LiO3
Molecular Weight:
240.9971
IUPAC Name:
lithium;2-(2,4-dichlorophenoxy)propanoate
InChI:
InChI=1S/C9H8Cl2O3.Li/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;/h2-5H,1H3,(H,12,13);/q;+1/p-1
InChI Key:
PLCDUUDPVHWYKA-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(Oc1ccc(cc1Cl)Cl)C.[Li+]
EC Number:
249-160-5
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.993g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.992g/mol
Monoisotopic Mass:
239.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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