4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butanoate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butanoate Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butanoate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butanoate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)butanoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-methylol-butyrate Formula: C12H13O5- MolecularWeight: 237.22862

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(CO)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(CO)C(=O)[O-]

InChI

InChI=1S/C12H14O5/c13-6-9(12(14)15)3-1-8-2-4-10-11(5-8)17-7-16-10/h2,4-5,9,13H,1,3,6-7H2,(H,14,15)/p-1