Molecular Weight of Kojic acid (C6H6O4)
Identification of Kojic acid Chemical Compound
Chemical Formula | C6H6O4 |
---|---|
Molecular Weight | 142.10944 g/mol |
IUPAC Name | 5-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one |
SMILES String | OCc1cc(=O)c(O)co1 |
InChI | InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2 |
InChIKey | BEJNERDRQOWKJM-UHFFFAOYSA-N |
Molecular Weight Description
The kojic acid molecule consists of 6 Hydrogen atom(s), 6 Carbon atom(s), and 4 Oxygen atom(s) - a total of 16 atom(s). The molecular weight of kojic acid is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 142.10944 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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- CAS #: 64-17-5
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- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Kojic acid Molecule
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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 on atoms, bonds, connectivity and coordinates of kojic acid. The kojic acid structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of kojic acid
The molecular structure image of kojic acid is available in chemical structure page of kojic acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in kojic acid and the chemical bonds that hold the atoms together.
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Chemical formula of kojic acid
The molecular 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.
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InChI (IUPAC International Chemical Identifier) information of kojic acid
In addition to the molecular weight information, the structural information of kojic acid in a textual expression is available via InChi. The full standard InChI of kojic acid is given below:
InChI=1S/C6H6O4/c7-2-4-1-5(8)6(9)3-10-4/h1,3,7,9H,2H2
It can provide a 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
It may allow easier web searches for kojic acid. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the kojic acid as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of kojic acid
There may be different names of the kojic acid compound depending on the various situations of industrial applications, which are given below including the 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
Kojic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of kojic acid? |
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C6H6O4 |
How many atoms and what are the elements 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 types 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 molar mass of kojic acid? |
142.10944 g/mol |
What’s the SMILES format of kojic acid? |
OCc1cc(=O)c(O)co1 |
What’s the InChI format 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 string of kojic acid? |
BEJNERDRQOWKJM-UHFFFAOYSA-N |
1367
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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).