(E)-4-phenylbut-3-enoate; prop-2-enoic acid

Systemtic Name: (E)-4-phenylbut-3-enoate; prop-2-enoic acid Openeye Name: acrylic acid; (E)-4-phenylbut-3-enoate CAS Name: (E)-4-phenyl-3-butenoate; 2-propenoic acid IUPAC Name: (E)-4-phenylbut-3-enoate; prop-2-enoic acid Traditional Name: acrylic acid; (E)-4-phenylbut-3-enoate Formula: C13H13O4- MolecularWeight: 233.23992

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)O.C1=CC=C(C=C1)C=CCC(=O)[O-]

Isomeric SMILES

C=CC(=O)O.C1=CC=C(C=C1)/C=C/CC(=O)[O-]

InChI

InChI=1S/C10H10O2.C3H4O2/c11-10(12)8-4-7-9-5-2-1-3-6-9;1-2-3(4)5/h1-7H,8H2,(H,11,12);2H,1H2,(H,4,5)/p-1/b7-4+;