2,2-dimethyl-4-oxidanylidene-butanoic acid; 1-fluoranyl-4-methyl-benzene

Systemtic Name: 2,2-dimethyl-4-oxidanylidene-butanoic acid; 1-fluoranyl-4-methyl-benzene Openeye Name: 2,2-dimethyl-4-oxo-butanoic acid; 1-fluoro-4-methyl-benzene CAS Name: 2,2-dimethyl-4-oxobutanoic acid; 1-fluoro-4-methylbenzene IUPAC Name: 2,2-dimethyl-4-oxobutanoic acid; 1-fluoro-4-methylbenzene Traditional Name: 1-fluoro-4-methyl-benzene; 4-keto-2,2-dimethyl-butyric acid Formula: C13H17FO3 MolecularWeight: 240.270683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)F.CC(C)(CC=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)F.CC(C)(CC=O)C(=O)O

InChI

InChI=1S/C7H7F.C6H10O3/c1-6-2-4-7(8)5-3-6;1-6(2,3-4-7)5(8)9/h2-5H,1H3;4H,3H2,1-2H3,(H,8,9)