4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; propanedioic acid

Systemtic Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; propanedioic acid Openeye Name: 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol; malonic acid CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-3-pyridinol; propanedioic acid IUPAC Name: 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol; propanedioic acid Traditional Name: malonic acid; 2-methyl-4,5-dimethylol-pyridin-3-ol Formula: C11H15NO7 MolecularWeight: 273.2393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CO.C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CO.C(C(=O)O)C(=O)O

InChI

InChI=1S/C8H11NO3.C3H4O4/c1-5-8(12)7(4-11)6(3-10)2-9-5;4-2(5)1-3(6)7/h2,10-12H,3-4H2,1H3;1H2,(H,4,5)(H,6,7)