3-ethylphthalic acid; prop-2-en-1-amine

Systemtic Name: 3-ethylphthalic acid; prop-2-en-1-amine Openeye Name: 3-ethylphthalic acid; prop-2-en-1-amine CAS Name: 3-ethylphthalic acid; 2-propen-1-amine IUPAC Name: 3-ethylphthalic acid; prop-2-en-1-amine Traditional Name: allylamine; 3-ethylphthalic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1C(=O)O)C(=O)O.C=CCN

Isomeric SMILES

CCC1=CC=CC(=C1C(=O)O)C(=O)O.C=CCN

InChI

InChI=1S/C10H10O4.C3H7N/c1-2-6-4-3-5-7(9(11)12)8(6)10(13)14;1-2-3-4/h3-5H,2H2,1H3,(H,11,12)(H,13,14);2H,1,3-4H2