(3R)-3-oxidanyl-3-phenyl-propanoic acid hydrate

Systemtic Name: (3R)-3-oxidanyl-3-phenyl-propanoic acid hydrate Openeye Name: (3R)-3-hydroxy-3-phenyl-propanoic acid hydrate CAS Name: (3R)-3-hydroxy-3-phenylpropanoic acid hydrate IUPAC Name: (3R)-3-hydroxy-3-phenylpropanoic acid hydrate Traditional Name: (3R)-3-hydroxy-3-phenyl-propionic acid hydrate Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)O.O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CC(=O)O)O.O

InChI

InChI=1S/C9H10O3.H2O/c10-8(6-9(11)12)7-4-2-1-3-5-7;/h1-5,8,10H,6H2,(H,11,12);1H2/t8-;/m1./s1