Molecular Weight of Methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate (C21H17ClO7)
Identification of Methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate Chemical Compound
![2D chemical structure image of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate](http://static.molinstincts.com/compound_common/methyl-4-7-2-chloropropanoyl-oxy-2-methyl-4-oxo-4H-chromen-3-yl-oxy-2D-structure-CT1060630644.png)
| Chemical Formula | C21H17ClO7 |
|---|---|
| Molecular Weight | 416.80848 g/mol |
| IUPAC Name | methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate |
| SMILES String | COC(=O)c3ccc(Oc2c(C)oc1cc(OC(=O)C(C)Cl)ccc1c2=O)cc3 |
| InChI | InChI=1S/C21H17ClO7/c1-11(22)20(24)29-15-8-9-16-17(10-15)27-12(2)19(18(16)23)28-14-6-4-13(5-7-14)21(25)26-3/h4-11H,1-3H3 |
| InChIKey | YVFFXUJPZUFWFV-UHFFFAOYSA-N |
Molecular Weight Description
The methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate molecule consists of 17 Hydrogen atom(s), 21 Carbon atom(s), 7 Oxygen atom(s), and 1 Chlorine atom(s) - a total of 46 atom(s). The molecular weight of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 416.80848 · \frac{g}{mol} $$
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.
![3D chemical structure image of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate](http://static.molinstincts.com/compound_3d/methyl-4-7-2-chloropropanoyl-oxy-2-methyl-4-oxo-4H-chromen-3-yl-oxy-3D-structure-CT1060630644.png)
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Additional Information for Identifying Methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate Molecule
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Structure Data File (SDF/MOL File) of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
The structure data file (SDF/MOL File) of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is available for download in the SDF page of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate, which provides the information on atoms, bonds, connectivity and coordinates of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate. The methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate 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 methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
The molecular structure image of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is available in chemical structure page of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate and the chemical bonds that hold the atoms together.
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Chemical formula of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
The molecular formula of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is given in chemical formula page of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate, 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 methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
In addition to the molecular weight information, the structural information of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate in a textual expression is available via InChi. The full standard InChI of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is given below:
InChI=1S/C21H17ClO7/c1-11(22)20(24)29-15-8-9-16-17(10-15)27-12(2)19(18(16)23)28-14-6-4-13(5-7-14)21(25)26-3/h4-11H,1-3H3
It can provide a way to encode the molecular information of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate 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 methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate is:
InChIKey=YVFFXUJPZUFWFV-UHFFFAOYSA-N
It may allow easier web searches for methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate
There may be different names of the methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
None available.
Methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate? |
|---|
| C21H17ClO7 |
| How many atoms and what are the elements in the methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate molecule? |
| 46 atom(s) - 17 Hydrogen atom(s), 21 Carbon atom(s), 7 Oxygen atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what types of bonds are in the methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate structure? |
| 48 bond(s) - 31 non-H bond(s), 16 multiple bond(s), 7 rotatable bond(s), 4 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 ester(s) (aliphatic), 1 ester(s) (aromatic), 1 ketone(s) (aromatic), and 2 ether(s) (aromatic) |
| What’s the molar mass of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate? |
| 416.80848 g/mol |
| What’s the SMILES format of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate? |
| COC(=O)c3ccc(Oc2c(C)oc1cc(OC(=O)C(C)Cl)ccc1c2=O)cc3 |
| What’s the InChI format of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate? |
| InChI=1S/C21H17ClO7/c1-11(22)20(24)29-15-8-9-16-17(10-15)27-12(2)19(18(16)23)28-14-6-4-13(5-7-14)21(25)26-3/h4-11H,1-3H3 |
| What’s the InChIKey string of methyl 4-({7-[(2-chloropropanoyl)oxy]-2-methyl-4-oxo-4H-chromen-3-yl}oxy)benzoate? |
| YVFFXUJPZUFWFV-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).