Structure & Deep Data of (R)-tropic acid (C9H10O3)
Identification of (R)-tropic acid Chemical Compound
Chemical Formula | C9H10O3 |
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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 |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (R)-tropic acid molecule contains a total of 22 bond(s). There are 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). Images of the chemical structure of (R)-tropic acid are given below:
The 2D chemical structure image of (R)-tropic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (R)-tropic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of (R)-tropic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (R)-tropic acid. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of (R)-tropic acid is provided here.
The (R)-tropic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the (R)-tropic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of (R)-tropic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying (R)-tropic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of (R)-tropic acid
The SMILES string of (R)-tropic acid is OCC(C(O)=O)c1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (R)-tropic acid.
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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 about the atoms, bonds, connectivity and coordinates of (R)-tropic acid. The (R)-tropic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of (R)-tropic acid
The molecular formula of (R)-tropic acid is available 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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Molecular weight of (R)-tropic acid
The molecular weight of (R)-tropic acid is available in molecular weight page of (R)-tropic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of (R)-tropic acid
The (R)-tropic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (R)-tropic acid including the various 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 chemical formula of (R)-tropic acid? |
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C9H10O3 |
How many atoms and what are the elements included 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 kind of bonds are included 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 (R)-tropic acid’s molecular weight? |
166.1739 g/mol |
What’s the SMILES code of (R)-tropic acid? |
OCC(C(O)=O)c1ccccc1 |
What’s the InChI string 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 code of (R)-tropic acid? |
JACRWUWPXAESPB-QMMMGPOBSA-N |
1647
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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).