benzoic acid; prop-2-enal

Systemtic Name: benzoic acid; prop-2-enal Openeye Name: benzoic acid; prop-2-enal CAS Name: benzoic acid; 2-propenal IUPAC Name: benzoic acid; prop-2-enal Traditional Name: acrolein; benzoic acid Formula: C17H16O5 MolecularWeight: 300.30594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H6O2.C3H4O/c2*8-7(9)6-4-2-1-3-5-6;1-2-3-4/h2*1-5H,(H,8,9);2-3H,1H2