Molecular Weight of Ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate (C19H27NO3)
Identification of Ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate Chemical Compound
Chemical Formula | C19H27NO3 |
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Molecular Weight | 317.42258 g/mol |
IUPAC Name | ethyl 7-[4-(azetidin-1-ylmethyl)phenyl]-7-oxoheptanoate |
SMILES String | CCOC(=O)CCCCCC(=O)c2ccc(CN1CCC1)cc2 |
InChI | InChI=1S/C19H27NO3/c1-2-23-19(22)8-5-3-4-7-18(21)17-11-9-16(10-12-17)15-20-13-6-14-20/h9-12H,2-8,13-15H2,1H3 |
InChIKey | YLCQBJIOARGKPV-UHFFFAOYSA-N |
Molecular Weight Description
The ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate molecule consists of 27 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) - a total of 50 atom(s). The molecular weight of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 317.42258 · \frac{g}{mol} $$
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 Ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate Molecule
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Structure Data File (SDF/MOL File) of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
The structure data file (SDF/MOL File) of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate is available for download in the SDF page of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate, which provides the information on atoms, bonds, connectivity and coordinates of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate. The ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate 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 ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
The molecular structure image of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate is available in chemical structure page of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate and the chemical bonds that hold the atoms together.
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Chemical formula of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
The molecular formula of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate is given in chemical formula page of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate, 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 ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
In addition to the molecular weight information, the structural information of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate in a textual expression is available via InChi. The full standard InChI of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate is given below:
InChI=1S/C19H27NO3/c1-2-23-19(22)8-5-3-4-7-18(21)17-11-9-16(10-12-17)15-20-13-6-14-20/h9-12H,2-8,13-15H2,1H3
It can provide a way to encode the molecular information of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate 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 ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate is:
InChIKey=YLCQBJIOARGKPV-UHFFFAOYSA-N
It may allow easier web searches for ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
There may be different names of the ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- Ethyl 7-{4-[(azetidin-1-yl)methyl]phenyl}-7-oxoheptanoate
- MFCD07699560
- 898757-28-3
- ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate
Ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate? |
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C19H27NO3 |
How many atoms and what are the elements in the ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate molecule? |
50 atom(s) - 27 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 3 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate structure? |
51 bond(s) - 24 non-H bond(s), 8 multiple bond(s), 11 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 four-membered ring(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 ketone(s) (aromatic), 1 tertiary amine(s) (aliphatic), and 1 Azetidine(s) |
What’s the molar mass of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate? |
317.42258 g/mol |
What’s the SMILES format of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate? |
CCOC(=O)CCCCCC(=O)c2ccc(CN1CCC1)cc2 |
What’s the InChI format of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate? |
InChI=1S/C19H27NO3/c1-2-23-19(22)8-5-3-4-7-18(21)17-11-9-16(10-12-17)15-20-13-6-14-20/h9-12H,2-8,13-15H2,1H3 |
What’s the InChIKey string of ethyl 7-[4-(azetidinomethyl)phenyl]-7-oxoheptanoate? |
YLCQBJIOARGKPV-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).