Kojic acid

C6H6O4CAS 501-30-4142.11 g/mol

OOHOHO
AlcoholPhenol

Properties

Molecular formula
C6H6O4
Molar mass
142.11 g/mol
Exact mass
142.0266 Da
Melting point
153.5 °C
pKa
7.66 (approx., at 25 °C)
Water solubility
soluble
logP
-0.16Crippen estimate
Polar surface area
70.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
501-30-4
SMILES
O=c1cc(CO)occ1O
InChIKey
BEJNERDRQOWKJM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2

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Names and synonyms

8 names
  • 4H-Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-
  • 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
  • 5-Hydroxy-2-hydroxymethyl-4-pyrone
  • 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one
  • NSC 1942
  • 5-Hydroxy-2-(hydroxymethyl)-4H-pyranone
  • 5-Hydroxy-2-hydroxymethylpyran-4-one
  • 5-Hydroxy-2-hydroxymethyl-1,4-pyrone

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere