Molecular Weight of DIPHENYLACETALDEHYDE (C14H12O)
Identification of DIPHENYLACETALDEHYDE Chemical Compound
Chemical Formula | C14H12O |
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Molecular Weight | 196.24448 g/mol |
IUPAC Name | 2,2-diphenylacetaldehyde |
SMILES String | O=CC(c1ccccc1)c2ccccc2 |
InChI | InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H |
InChIKey | HLLGFGBLKOIZOM-UHFFFAOYSA-N |
Molecular Weight Description
The DIPHENYLACETALDEHYDE molecule consists of 12 Hydrogen atom(s), 14 Carbon atom(s), and 1 Oxygen atom(s) - a total of 27 atom(s). The molecular weight of DIPHENYLACETALDEHYDE is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 196.24448 · \frac{g}{mol} $$
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
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying DIPHENYLACETALDEHYDE Molecule
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Structure Data File (SDF/MOL File) of DIPHENYLACETALDEHYDE
The structure data file (SDF/MOL File) of DIPHENYLACETALDEHYDE is available for download in the SDF page of DIPHENYLACETALDEHYDE, which provides the information on atoms, bonds, connectivity and coordinates of DIPHENYLACETALDEHYDE. The DIPHENYLACETALDEHYDE 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 DIPHENYLACETALDEHYDE
The molecular structure image of DIPHENYLACETALDEHYDE is available in chemical structure page of DIPHENYLACETALDEHYDE, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in DIPHENYLACETALDEHYDE and the chemical bonds that hold the atoms together.
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Chemical formula of DIPHENYLACETALDEHYDE
The molecular formula of DIPHENYLACETALDEHYDE is given in chemical formula page of DIPHENYLACETALDEHYDE, 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 DIPHENYLACETALDEHYDE
In addition to the molecular weight information, the structural information of DIPHENYLACETALDEHYDE in a textual expression is available via InChi. The full standard InChI of DIPHENYLACETALDEHYDE is given below:
InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H
It can provide a way to encode the molecular information of DIPHENYLACETALDEHYDE 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 DIPHENYLACETALDEHYDE is:
InChIKey=HLLGFGBLKOIZOM-UHFFFAOYSA-N
It may allow easier web searches for DIPHENYLACETALDEHYDE. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the DIPHENYLACETALDEHYDE as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of DIPHENYLACETALDEHYDE
There may be different names of the DIPHENYLACETALDEHYDE compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- C-30864
- EN300-17215
- BBV-34550579
- N-[(4-Aminophenyl)carbamothioyl]-4-(2-methyl-2-propanyl)benzamide
- Diphenylethanal;diphenylketen;alpha-phenylbenzeneacetaldehyde
- I14-53802
- J-800292
- J-640468
- A24644
- Y1110
- D2492
- 4CH-018338
- Benzeneacetaldehyde, alpha-phenyl- (9CI)
- BENZENEACETALDEHYDE, A-PHENYL-
- MFCD00006972
- ANW-40340
- Benzeneacetaldehyde, alpha-phenyl-
- benzeneacetaldehyde, |A-phenyl-
- alpha-phenyl-benzeneacetaldehyd
- 2-Phenyl-benzeneacetaldehyde
- 2,2-di(phenyl)acetaldehyde
- DIPHENYL ACETALDEHYDE
- Diphenylacetaldehyde, 97%
- diphenylacetoaldehyde
- 2,2-diphenyl-acetaldehyde
- Diphenyl-acetaldehyd
- Benzeneacetaldehyde, .alpha.-phenyl-
- DIPHENYL-ACETALDEHYDE
- Diphenylethanal
- alpha-Phenylbenzeneacetaldehyde
- Acetaldehyde, diphenyl-
- Diphenylketen
- 947-91-1
- DIPHENYLACETALDEHYDE
DIPHENYLACETALDEHYDE Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of DIPHENYLACETALDEHYDE? |
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C14H12O |
How many atoms and what are the elements in the DIPHENYLACETALDEHYDE molecule? |
27 atom(s) - 12 Hydrogen atom(s), 14 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the DIPHENYLACETALDEHYDE structure? |
28 bond(s) - 16 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 aldehyde(s) (aliphatic) |
What’s the molar mass of DIPHENYLACETALDEHYDE? |
196.24448 g/mol |
What’s the SMILES format of DIPHENYLACETALDEHYDE? |
O=CC(c1ccccc1)c2ccccc2 |
What’s the InChI format of DIPHENYLACETALDEHYDE? |
InChI=1S/C14H12O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H |
What’s the InChIKey string of DIPHENYLACETALDEHYDE? |
HLLGFGBLKOIZOM-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).