3-[(3S,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]propanoic acid

Systemtic Name: 3-[(3S,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]propanoic acid Openeye Name: 3-[(3S,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]propanoic acid CAS Name: 3-[(3S,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]propanoic acid IUPAC Name: 3-[(3S,6R)-6-methyl-3,6-dihydro-1,2-dioxin-3-yl]propanoic acid Traditional Name: 3-[(3S,6R)-6-methyl-3,6-dihydro-o-dioxin-3-yl]propionic acid Formula: C8H12O4 MolecularWeight: 172.17848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(OO1)CCC(=O)O

Isomeric SMILES

C[C@@H]1C=C[C@@H](OO1)CCC(=O)O

InChI

InChI=1S/C8H12O4/c1-6-2-3-7(12-11-6)4-5-8(9)10/h2-3,6-7H,4-5H2,1H3,(H,9,10)/t6-,7-/m1/s1