943442-96-4 Purity
96%
If you have any other questions or need other size, please get a quote.
The molecular formula of 2-Methyl-2-phenoxypropanoic acid is C10H12O3.
The molecular weight of 2-Methyl-2-phenoxypropanoic acid is 180.20 g/mol.
The IUPAC name of 2-Methyl-2-phenoxypropanoic acid is 2-methyl-2-phenoxypropanoic acid.
The InChI of 2-Methyl-2-phenoxypropanoic acid is InChI=1S/C10H12O3/c1-10(2,9(11)12)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12).
The InChIKey of 2-Methyl-2-phenoxypropanoic acid is ILPUOPPYSQEBNJ-UHFFFAOYSA-N.
The canonical SMILES of 2-Methyl-2-phenoxypropanoic acid is CC(C)(C(=O)O)OC1=CC=CC=C1.
The CAS number of 2-Methyl-2-phenoxypropanoic acid is 943-45-3.
The European Community (EC) number of 2-Methyl-2-phenoxypropanoic acid is 213-402-8.
The UNII of 2-Methyl-2-phenoxypropanoic acid is 6848ST447Q.
The molecular weight is 180.20 g/mol, XLogP3 is 1.9, hydrogen bond donor count is 1, hydrogen bond acceptor count is 3, rotatable bond count is 3, exact mass is 180.078644241 g/mol, monoisotopic mass is 180.078644241 g/mol, topological polar surface area is 46.5 ?^2, heavy atom count is 13, formal charge is 0, complexity is 181, isotope atom count is 0, defined atom stereocenter count is 0, undefined atom stereocenter count is 0, defined bond stereocenter count is 0, undefined bond stereocenter count is 0, covalently-bonded unit count is 1, and compound is canonicalized property value is Yes.