Molecular Weight of Hexanoic acid 4-vinylphenyl ester (C14H18O2)
Identification of Hexanoic acid 4-vinylphenyl ester Chemical Compound
Chemical Formula | C14H18O2 |
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Molecular Weight | 218.29152 g/mol |
IUPAC Name | 4-ethenylphenyl hexanoate |
SMILES String | CCCCCC(=O)Oc1ccc(C=C)cc1 |
InChI | InChI=1S/C14H18O2/c1-3-5-6-7-14(15)16-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3 |
InChIKey | ISLPMUXFIQVEEW-UHFFFAOYSA-N |
Molecular Weight Description
The Hexanoic acid 4-vinylphenyl ester molecule consists of 18 Hydrogen atom(s), 14 Carbon atom(s), and 2 Oxygen atom(s) - a total of 34 atom(s). The molecular weight of Hexanoic acid 4-vinylphenyl ester is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 218.29152 · \frac{g}{mol} $$
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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Additional Information for Identifying Hexanoic acid 4-vinylphenyl ester Molecule
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Structure Data File (SDF/MOL File) of Hexanoic acid 4-vinylphenyl ester
The structure data file (SDF/MOL File) of Hexanoic acid 4-vinylphenyl ester is available for download in the SDF page of Hexanoic acid 4-vinylphenyl ester, which provides the information on atoms, bonds, connectivity and coordinates of Hexanoic acid 4-vinylphenyl ester. The Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester
The molecular structure image of Hexanoic acid 4-vinylphenyl ester is available in chemical structure page of Hexanoic acid 4-vinylphenyl ester, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in Hexanoic acid 4-vinylphenyl ester and the chemical bonds that hold the atoms together.
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Chemical formula of Hexanoic acid 4-vinylphenyl ester
The molecular formula of Hexanoic acid 4-vinylphenyl ester is given in chemical formula page of Hexanoic acid 4-vinylphenyl ester, 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 Hexanoic acid 4-vinylphenyl ester
In addition to the molecular weight information, the structural information of Hexanoic acid 4-vinylphenyl ester in a textual expression is available via InChi. The full standard InChI of Hexanoic acid 4-vinylphenyl ester is given below:
InChI=1S/C14H18O2/c1-3-5-6-7-14(15)16-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3
It can provide a way to encode the molecular information of Hexanoic acid 4-vinylphenyl ester 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 Hexanoic acid 4-vinylphenyl ester is:
InChIKey=ISLPMUXFIQVEEW-UHFFFAOYSA-N
It may allow easier web searches for Hexanoic acid 4-vinylphenyl ester. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Hexanoic acid 4-vinylphenyl ester as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Hexanoic acid 4-vinylphenyl ester
There may be different names of the Hexanoic acid 4-vinylphenyl ester compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Hexanoic acid 4-vinylphenyl ester
Hexanoic acid 4-vinylphenyl ester Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of Hexanoic acid 4-vinylphenyl ester? |
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C14H18O2 |
How many atoms and what are the elements in the Hexanoic acid 4-vinylphenyl ester molecule? |
34 atom(s) - 18 Hydrogen atom(s), 14 Carbon atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the Hexanoic acid 4-vinylphenyl ester structure? |
34 bond(s) - 16 non-H bond(s), 8 multiple bond(s), 7 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 ester(s) (aliphatic) |
What’s the molar mass of Hexanoic acid 4-vinylphenyl ester? |
218.29152 g/mol |
What’s the SMILES format of Hexanoic acid 4-vinylphenyl ester? |
CCCCCC(=O)Oc1ccc(C=C)cc1 |
What’s the InChI format of Hexanoic acid 4-vinylphenyl ester? |
InChI=1S/C14H18O2/c1-3-5-6-7-14(15)16-13-10-8-12(4-2)9-11-13/h4,8-11H,2-3,5-7H2,1H3 |
What’s the InChIKey string of Hexanoic acid 4-vinylphenyl ester? |
ISLPMUXFIQVEEW-UHFFFAOYSA-N |
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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).