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Structure & Deep Data of (2-Methylphenyl)acetaldehyde (C9H10O)

Identification of (2-Methylphenyl)acetaldehyde Chemical Compound

2D chemical structure image of (2-Methylphenyl)acetaldehyde
Chemical Formula C9H10O
Molecular Weight 134.1751 g/mol
IUPAC Name 2-(2-methylphenyl)acetaldehyde
SMILES String Cc1ccccc1CC=O
InChI InChI=1S/C9H10O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,7H,6H2,1H3
InChIKey ACHWKVVBZRANAV-UHFFFAOYSA-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 (2-Methylphenyl)acetaldehyde molecule contains a total of 20 bond(s). There are 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aldehyde(s) (aliphatic). Images of the chemical structure of (2-Methylphenyl)acetaldehyde are given below:

2D chemical structure image of (2-Methylphenyl)acetaldehyde
2-dimensional (2D) chemical structure image of (2-Methylphenyl)acetaldehyde
3D chemical structure image of (2-Methylphenyl)acetaldehyde
3-dimensional (3D) chemical structure image of (2-Methylphenyl)acetaldehyde

The 2D chemical structure image of (2-Methylphenyl)acetaldehyde is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (2-Methylphenyl)acetaldehyde 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 (2-Methylphenyl)acetaldehyde 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 (2-Methylphenyl)acetaldehyde. Download structure data file (SDF/MOL) file of this compound.


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Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of (2-Methylphenyl)acetaldehyde is provided here.

The (2-Methylphenyl)acetaldehyde 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 (2-Methylphenyl)acetaldehyde 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 (2-Methylphenyl)acetaldehyde 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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  • CAS #: 64-17-5
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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 (2-Methylphenyl)acetaldehyde Molecule

  • Other names (synonyms) or registry numbers of (2-Methylphenyl)acetaldehyde

    The (2-Methylphenyl)acetaldehyde compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (2-Methylphenyl)acetaldehyde including the various registry numbers, if available:

    • 7409AC
    • 2-METHYL-BENZENEACETALDEHYDE
    • 2-TOLYLACETALDEHYDE
    • 2-Methylbenzeneacetaldehyde
    • m-Methylphenylacetaldehyde
    • 69380-02-5
    • 2-O-TOLYLACETALDEHYDE
    • O-Tolyl-Acetaldehyde
    • 2-(2-Methylphenyl)ethanal
    • 10166-08-2
    • Benzeneacetaldehyde, 2-methyl-
    • (2-Methylphenyl)acetaldehyde

(2-Methylphenyl)acetaldehyde Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (2-Methylphenyl)acetaldehyde?
C9H10O
How many atoms and what are the elements included the (2-Methylphenyl)acetaldehyde molecule?
20 atom(s) - 10 Hydrogen atom(s), 9 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the (2-Methylphenyl)acetaldehyde structure?
20 bond(s) - 10 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aldehyde(s) (aliphatic)
What’s the (2-Methylphenyl)acetaldehyde’s molecular weight?
134.1751 g/mol
What’s the SMILES code of (2-Methylphenyl)acetaldehyde?
Cc1ccccc1CC=O
What’s the InChI string of (2-Methylphenyl)acetaldehyde?
InChI=1S/C9H10O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,7H,6H2,1H3
What’s the InChIKey code of (2-Methylphenyl)acetaldehyde?
ACHWKVVBZRANAV-UHFFFAOYSA-N

85 The contents of this page can freely be shared if cited as follows:
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).

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