5-methoxy-3-(2-oxidanylpropyl)isochromen-1-one

Systemtic Name: 5-methoxy-3-(2-oxidanylpropyl)isochromen-1-one Openeye Name: 3-(2-hydroxypropyl)-5-methoxy-isochromen-1-one CAS Name: 3-(2-hydroxypropyl)-5-methoxy-2-benzopyran-1-one IUPAC Name: 3-(2-hydroxypropyl)-5-methoxyisochromen-1-one Traditional Name: 3-(2-hydroxypropyl)-5-methoxy-isocoumarin Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=CC=C2OC)C(=O)O1)O

Isomeric SMILES

CC(CC1=CC2=C(C=CC=C2OC)C(=O)O1)O

InChI

InChI=1S/C13H14O4/c1-8(14)6-9-7-11-10(13(15)17-9)4-3-5-12(11)16-2/h3-5,7-8,14H,6H2,1-2H3