3-(2-methylpropanoyl)chromen-2-one

Systemtic Name: 3-(2-methylpropanoyl)chromen-2-one Openeye Name: 3-(2-methylpropanoyl)chromen-2-one CAS Name: 3-(2-methyl-1-oxopropyl)-1-benzopyran-2-one IUPAC Name: 3-(2-methylpropanoyl)chromen-2-one Traditional Name: 3-isobutyrylcoumarin Formula: C13H12O3 MolecularWeight: 216.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC2=CC=CC=C2OC1=O

Isomeric SMILES

CC(C)C(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChI=1S/C13H12O3/c1-8(2)12(14)10-7-9-5-3-4-6-11(9)16-13(10)15/h3-8H,1-2H3