3-[(2S)-2,4-dimethyl-5-oxidanylidene-furan-2-yl]propanoic acid

Systemtic Name: 3-[(2S)-2,4-dimethyl-5-oxidanylidene-furan-2-yl]propanoic acid Openeye Name: 3-[(2S)-2,4-dimethyl-5-oxo-2-furyl]propanoic acid CAS Name: 3-[(2S)-2,4-dimethyl-5-oxo-2-furanyl]propanoic acid IUPAC Name: 3-[(2S)-2,4-dimethyl-5-oxofuran-2-yl]propanoic acid Traditional Name: 3-[(2S)-5-keto-2,4-dimethyl-2-furyl]propionic acid Formula: C9H12O4 MolecularWeight: 184.18918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(OC1=O)(C)CCC(=O)O

Isomeric SMILES

CC1=C[C@](OC1=O)(C)CCC(=O)O

InChI

InChI=1S/C9H12O4/c1-6-5-9(2,13-8(6)12)4-3-7(10)11/h5H,3-4H2,1-2H3,(H,10,11)/t9-/m0/s1