4-(2-oxidanylidenepropyl)benzoic acid

Systemtic Name: 4-(2-oxidanylidenepropyl)benzoic acid Openeye Name: 4-acetonylbenzoic acid CAS Name: 4-(2-oxopropyl)benzoic acid IUPAC Name: 4-(2-oxopropyl)benzoic acid Traditional Name: 4-acetonylbenzoic acid Formula: C10H10O3 MolecularWeight: 178.1846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)