(E)-but-2-enedioic acid; prop-2-yn-1-amine

Systemtic Name: (E)-but-2-enedioic acid; prop-2-yn-1-amine Openeye Name: fumaric acid; prop-2-yn-1-amine CAS Name: (E)-2-butenedioic acid; 2-propyn-1-amine IUPAC Name: (E)-but-2-enedioic acid; prop-2-yn-1-amine Traditional Name: fumaric acid; propargylamine Formula: C7H9NO4 MolecularWeight: 171.15066

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C#CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H4O4.C3H5N/c5-3(6)1-2-4(7)8;1-2-3-4/h1-2H,(H,5,6)(H,7,8);1H,3-4H2/b2-1+;