4,4-bis(hydroxymethyl)-2-methyl-hexanoic acid

Systemtic Name: 4,4-bis(hydroxymethyl)-2-methyl-hexanoic acid Openeye Name: 4,4-bis(hydroxymethyl)-2-methyl-hexanoic acid CAS Name: 4,4-bis(hydroxymethyl)-2-methylhexanoic acid IUPAC Name: 4,4-bis(hydroxymethyl)-2-methylhexanoic acid Traditional Name: 2-methyl-4,4-dimethylol-hexanoic acid Formula: C9H18O4 MolecularWeight: 190.23682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O4/c1-3-9(5-10,6-11)4-7(2)8(12)13/h7,10-11H,3-6H2,1-2H3,(H,12,13)