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28692-38-8 | Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, lithium salt (1:1)
CAS No: 28692-38-8 Catalog No: AG002W3Z MDL No:
Product Description
Catalog Number:
AG002W3Z
Chemical Name:
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, lithium salt (1:1)
CAS Number:
28692-38-8
Molecular Formula:
C10H10ClLiO3
Molecular Weight:
220.5786
IUPAC Name:
lithium;2-(4-chloro-2-methylphenoxy)propanoate
InChI:
InChI=1S/C10H11ClO3.Li/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);/q;+1/p-1
InChI Key:
KFFYBGNYRIHVKI-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(Oc1ccc(cc1C)Cl)C.[Li+]
EC Number:
249-161-0
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.577g/mol
Monoisotopic Mass:
220.048g/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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