2-[4-(3-oxidanylbutyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(3-oxidanylbutyl)phenyl]propanoic acid Openeye Name: 2-[4-(3-hydroxybutyl)phenyl]propanoic acid CAS Name: 2-[4-(3-hydroxybutyl)phenyl]propanoic acid IUPAC Name: 2-[4-(3-hydroxybutyl)phenyl]propanoic acid Traditional Name: 2-[4-(3-hydroxybutyl)phenyl]propionic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(C)C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(C)C(=O)O)O

InChI

InChI=1S/C13H18O3/c1-9(14)3-4-11-5-7-12(8-6-11)10(2)13(15)16/h5-10,14H,3-4H2,1-2H3,(H,15,16)