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19095-88-6 | Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)
CAS No: 19095-88-6 Catalog No: AG002EXA MDL No:
Product Description
Catalog Number:
AG002EXA
Chemical Name:
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, sodium salt (1:1)
CAS Number:
19095-88-6
Molecular Formula:
C10H10ClNaO3
Molecular Weight:
236.6274
IUPAC Name:
sodium;2-(4-chloro-2-methylphenoxy)propanoate
InChI:
InChI=1S/C10H11ClO3.Na/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:
DHJHUXNTNSRSEX-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(Oc1ccc(cc1C)Cl)C.[Na+]
EC Number:
242-815-6
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.627g/mol
Monoisotopic Mass:
236.022g/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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