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Specification
The molecular formula is C9H10O3.
The molecular weight is 166.17 g/mol.
The IUPAC name is (3R)-3-hydroxy-3-phenylpropanoic acid.
The InChI is InChI=1S/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1.
The InChIKey is AYOLELPCNDVZKZ-MRVPVSSYSA-N.
The canonical SMILES is C1=CC=C(C=C1)C(CC(=O)O)O.
Some synonyms are 2768-42-5, (3R)-3-hydroxy-3-phenylpropanoic acid, (r)-3-hydroxy-3-phenylpropanoic acid, (R)-(+)-3-HYDROXY-3-PHENYLPROPIONIC ACID.
The CAS number is 2768-42-5.
The monoisotopic mass is 166.062994177 g/mol.
The topological polar surface area is 57.5Ų.