Molecular Weight of (R)-tropic acid (C9H10O3)
Identification of (R)-tropic acid Chemical Compound
| Chemical Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.1739 g/mol |
| IUPAC Name | (2R)-3-hydroxy-2-phenylpropanoic acid |
| SMILES String | OCC(C(O)=O)c1ccccc1 |
| InChI | InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1 |
| InChIKey | JACRWUWPXAESPB-QMMMGPOBSA-N |
Molecular Weight Description
The (R)-tropic acid molecule consists of 10 Hydrogen atom(s), 9 Carbon atom(s), and 3 Oxygen atom(s) - a total of 22 atom(s). The molecular weight of (R)-tropic 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:
$$ 166.1739 · \frac{g}{mol} $$
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 (R)-tropic acid Molecule
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Structure Data File (SDF/MOL File) of (R)-tropic acid
The structure data file (SDF/MOL File) of (R)-tropic acid is available for download in the SDF page of (R)-tropic acid, which provides the information on atoms, bonds, connectivity and coordinates of (R)-tropic acid. The (R)-tropic 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 (R)-tropic acid
The molecular structure image of (R)-tropic acid is available in chemical structure page of (R)-tropic acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in (R)-tropic acid and the chemical bonds that hold the atoms together.
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Chemical formula of (R)-tropic acid
The molecular formula of (R)-tropic acid is given in chemical formula page of (R)-tropic 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 (R)-tropic acid
In addition to the molecular weight information, the structural information of (R)-tropic acid in a textual expression is available via InChi. The full standard InChI of (R)-tropic acid is given below:
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
It can provide a way to encode the molecular information of (R)-tropic 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 (R)-tropic acid is:
InChIKey=JACRWUWPXAESPB-QMMMGPOBSA-N
It may allow easier web searches for (R)-tropic 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 (R)-tropic acid as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of (R)-tropic acid
There may be different names of the (R)-tropic acid compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- QE0870Q3EQ
- Benzeneacetic acid, alpha-(hydroxymethyl)-, (alphaR)-
- Tropic acid, (+)-
- D-Tropic acid
- (R)-3-Hydroxy-2-phenylpropanoic acid
- 17126-67-9
- (R)-tropic acid
(R)-tropic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of (R)-tropic acid? |
|---|
| C9H10O3 |
| How many atoms and what are the elements in the (R)-tropic acid molecule? |
| 22 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), and 3 Oxygen atom(s) |
| How many chemical bonds and what types of bonds are in the (R)-tropic acid structure? |
| 22 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 2 hydroxyl group(s), and 1 primary alcohol(s) |
| What’s the molar mass of (R)-tropic acid? |
| 166.1739 g/mol |
| What’s the SMILES format of (R)-tropic acid? |
| OCC(C(O)=O)c1ccccc1 |
| What’s the InChI format of (R)-tropic acid? |
| InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1 |
| What’s the InChIKey string of (R)-tropic acid? |
| JACRWUWPXAESPB-QMMMGPOBSA-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).