5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid

Systemtic Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid Openeye Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid CAS Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid IUPAC Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid Traditional Name: 5-cyano-2-propyl-1,3-dioxane-5-carboxylic acid Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1OCC(CO1)(C#N)C(=O)O

Isomeric SMILES

CCCC1OCC(CO1)(C#N)C(=O)O

InChI

InChI=1S/C9H13NO4/c1-2-3-7-13-5-9(4-10,6-14-7)8(11)12/h7H,2-3,5-6H2,1H3,(H,11,12)