3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylazaniumyl]propanoate

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylazaniumyl]propanoate Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylammonio]propanoate CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylammonio]propanoate IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylazaniumyl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylammonio]propionate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC[NH2+]CCC(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC[NH2+]CCC(=O)[O-]

InChI

InChI=1S/C13H17NO4/c15-13(16)4-6-14-5-3-10-1-2-11-12(9-10)18-8-7-17-11/h1-2,9,14H,3-8H2,(H,15,16)