Structure & Deep Data of Kojic acid (C6H6O4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The kojic acid molecule contains a total of 16 bond(s). There are 10 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 1 ketone(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 ether(s) (aliphatic). Images of the chemical structure of kojic acid are given below:

The 2D chemical structure image of kojic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of kojic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of kojic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of kojic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Kojic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of kojic acid

  The SMILES string of kojic acid is OCc1cc(=O)c(O)co1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the kojic acid.

• Structure Data File (SDF/MOL File) of kojic acid

  The structure data file (SDF/MOL File) of kojic acid is available for download in the SDF page of kojic acid, which provides the information about the atoms, bonds, connectivity and coordinates of kojic acid. The kojic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of kojic acid

  The molecular formula of kojic acid is available in chemical formula page of kojic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of kojic acid

  The molecular weight of kojic acid is available in molecular weight page of kojic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of kojic acid

  The kojic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of kojic acid including the various registry numbers, if available:

  • T5832731
  • C-34530
  • EN300-20919
  • BBV-46884120
  • ZX-AFC000536
  • K-7000
  • 123712-78-7
  • Kojic acid pound>>5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-on
  • Z381040328
  • F0001-1307

  • I14-19021
  • C65A72E0-0E46-4AF4-AA68-178ECA2E5FCC
  • 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one Solution
  • SR-01000945134-1
  • M-6079
  • K0012
  • K0010
  • 5-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-
  • 2-Hydroxymethyl-5-hydroxy-4H-pyran-4-one
  • 2-HYDROXYMETHYL-5-HYDROXY-4-PYRONE

  • Kojic acid, purum, >=98.0% (HPLC)
  • H802
  • RTR-036891
  • 5-Hydroxy-2-(hydroxymethyl)-4-pyrond
  • 2-Hydroxymethyl-5-hydroxy-beta-pyrone
  • 2-Hydroxymethyl-5-Hydroxy-??-Pyrone
  • 5-hydroxy-2-hydroxymethylpyran-4-one
  • 2-Hydroxymethyl-5-hydroxy-|A-pyrone
  • CCG-38458
  • BDBM50031467

  • ANW-46611
  • 2-Hydroxymethyl-5-hydroxy-?-pyrone
  • KUC106760N
  • HMS3604L04
  • 6K23F1TT52
  • HMS502O05
  • Kojic acid, analytical standard
  • BIDD:ER0501
  • Kojic Acid Dipalmitate 5kg
  • Kojic acid, 99% 5g

  • Kojic Acid Solution
  • acido kojico
  • Kojicacid
  • Kojisaeure
  • CAS-501-30-4
  • Pyran-4-one, 5-hydroxy-2-(hydroxymethyl)
  • 5-Hydroxy-2-hydroxymethyl-pyran-4-one
  • MFCD00006580
  • 5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one
  • 5-Hydroxy-2-hydroxymethyl-4H-4-pyranone

  • 2-(Hydroxymethyl)-5-hydroxy-4H-pyran-4-one
  • 2-Hydroxymethyl-5-hydroxy-gamma-pyrone
  • 5-hydroxy-2-(hydroxymethyl)pyran-4-one
  • 4H-PYRAN-4-ONE, 5-HYDROXY-2-(HYDROXYMETHYL)-
  • 5-Hydroxy-2-hydroxymethyl-4-pyrone
  • 5-Hydroxy-2-(hydroxymethyl)-4-pyrone
  • 501-30-4
  • kojic acid

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Kojic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of kojic acid?
C6H6O4
How many atoms and what are the elements included the kojic acid molecule?
16 atom(s) - 6 Hydrogen atom(s), 6 Carbon atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the kojic acid structure?
16 bond(s) - 10 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 1 six-membered ring(s), 1 ketone(s) (aliphatic), 2 hydroxyl group(s), 1 primary alcohol(s), and 1 ether(s) (aliphatic)
What’s the kojic acid’s molecular weight?
142.10944 g/mol
What’s the SMILES code of kojic acid?
OCc1cc(=O)c(O)co1
What’s the InChI string of kojic acid?
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
What’s the InChIKey code of kojic acid?
BEJNERDRQOWKJM-UHFFFAOYSA-N

3145 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).