98424-37-4 Purity
96%
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The molecular formula is C8H13NO2.
The synonym is 98426-30-3.
The molecular weight is 155.19 g/mol.
The IUPAC Name is (2S)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.
The InChI code is InChI=1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h6-7,9H,1,3-4H2,2H3,(H,10,11)/t6?,7-/m0/s1.
The InChIKey is ZHJAYBVPHIYUEA-MLWJPKLSSA-N.
The canonical SMILES is CC(=C)C1CC(NC1)C(=O)O.
The isomeric SMILES is CC(=C)C1C[C@H](NC1)C(=O)O.
The XLogP3-AA value is -1.2.
Yes, the compound is canonicalized.