SDF/Mol File of Kojic acid (C6H6O4)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Kojic acid Molecule

• Chemical structure of kojic acid

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of kojic acid is available in chemical structure page of kojic acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• 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 masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of kojic acid

  The chemical formula of kojic acid is given 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.

• InChI (IUPAC International Chemical Identifier) information of kojic acid

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of kojic acid is:

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

  It can provide a standard way to encode the molecular information of kojic acid to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of kojic acid is:

  InChIKey=BEJNERDRQOWKJM-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for kojic acid, but it needs to be linked to the full InChI to get back to the original structure of the kojic acid since the full standard InChI cannot be reconstructed from the InChIKey.

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

  The kojic acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of kojic acid including the registry numbers are listed below, 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 kojic acid formula?
C6H6O4
How many atoms and what elements are included in 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 in 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 molar mass?
142.10944 g/mol
What’s the SMILES structure of kojic acid?
OCc1cc(=O)c(O)co1
What’s the InChI code 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 format of kojic acid?
BEJNERDRQOWKJM-UHFFFAOYSA-N

432 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).