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The molecular formula is C14H22ClNO3.
The molecular weight is 287.78 g/mol.
The IUPAC name is (2S)-2-(4-chloro-2-methylphenoxy)propanoate;diethylazanium.
The InChI is InChI=1S/C10H11ClO3.C4H11N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;1-3-5-4-2/h3-5,7H,1-2H3,(H,12,13);5H,3-4H2,1-2H3/t7-;/m0./s1.
The InChIKey is YWWMOSBBXLVHSK-FJXQXJEOSA-N.
The canonical SMILES is CC[NH2+]CC.CC1=C(C=CC(=C1)Cl)OC(C)C(=O)[O-].
It has 1 hydrogen bond donor count.
It has 3 hydrogen bond acceptor count.
It has 4 rotatable bond count.
The CAS number is 97233-28-8.
97232-16-1
97232-74-1
97233-10-8
97234-38-3
97234-97-4
97240-59-0
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