Chemical Properties of 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)- (CAS 501-30-4)

InChI

InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2

InChI Key

BEJNERDRQOWKJM-UHFFFAOYSA-N

Formula

C6H6O4

SMILES

O=c1cc(CO)occ1O

Molecular Weight¹

142.11

CAS

501-30-4

Other Names

• Kojic acid
• 5-Hydroxy-2-(hydroxymethyl)-4-pyrone
• 5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one
• Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Similar Compounds

Find more compounds similar to 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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