3-[4-(carboxymethyl)-2-(hydroxymethyl)furan-3-yl]propanoic acid

Systemtic Name: 3-[4-(carboxymethyl)-2-(hydroxymethyl)furan-3-yl]propanoic acid Openeye Name: 3-[4-(carboxymethyl)-2-(hydroxymethyl)-3-furyl]propanoic acid CAS Name: 3-[4-(carboxymethyl)-2-(hydroxymethyl)-3-furanyl]propanoic acid IUPAC Name: 3-[4-(carboxymethyl)-2-(hydroxymethyl)furan-3-yl]propanoic acid Traditional Name: 3-[4-(carboxymethyl)-2-methylol-3-furyl]propionic acid Formula: C10H12O6 MolecularWeight: 228.19868

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(O1)CO)CCC(=O)O)CC(=O)O

Isomeric SMILES

C1=C(C(=C(O1)CO)CCC(=O)O)CC(=O)O

InChI

InChI=1S/C10H12O6/c11-4-8-7(1-2-9(12)13)6(5-16-8)3-10(14)15/h5,11H,1-4H2,(H,12,13)(H,14,15)