(E)-2-methyl-4-oxidanyl-pent-2-enoate; prop-2-en-1-amine

Systemtic Name: (E)-2-methyl-4-oxidanyl-pent-2-enoate; prop-2-en-1-amine Openeye Name: (E)-4-hydroxy-2-methyl-pent-2-enoate; prop-2-en-1-amine CAS Name: (E)-4-hydroxy-2-methyl-2-pentenoate; 2-propen-1-amine IUPAC Name: (E)-4-hydroxy-2-methylpent-2-enoate; prop-2-en-1-amine Traditional Name: allylamine; (E)-4-hydroxy-2-methyl-pent-2-enoate Formula: C9H16NO3- MolecularWeight: 186.22824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C)C(=O)[O-])O.C=CCN

Isomeric SMILES

CC(/C=C(\C)/C(=O)[O-])O.C=CCN

InChI

InChI=1S/C6H10O3.C3H7N/c1-4(6(8)9)3-5(2)7;1-2-3-4/h3,5,7H,1-2H3,(H,8,9);2H,1,3-4H2/p-1/b4-3+;