Home Chemical Formula (2-Methylphenyl)acetaldehyde

Chemical Formula 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

Chemical Formula Description

The (2-Methylphenyl)acetaldehyde molecule contains a total of 20 atom(s). There are 10 Hydrogen atom(s), 9 Carbon atom(s) and 1 Oxygen atom(s). A chemical formula of (2-Methylphenyl)acetaldehyde can therefore be written as:


The chemical formula of (2-Methylphenyl)acetaldehyde shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

Ball-and-stick model of (2-Methylphenyl)acetaldehyde
Ball-and-stick model of (2-Methylphenyl)acetaldehyde

Additional Information for Identifying (2-Methylphenyl)acetaldehyde Molecule

  • InChI (IUPAC International Chemical Identifier) information of (2-Methylphenyl)acetaldehyde

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of (2-Methylphenyl)acetaldehyde is:


    It can provide a standard way to encode the molecular information of (2-Methylphenyl)acetaldehyde 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 (2-Methylphenyl)acetaldehyde is:


    The InChIKey may allow easier web searches for (2-Methylphenyl)acetaldehyde, but it needs to be linked to the full InChI to get back to the original structure of the (2-Methylphenyl)acetaldehyde since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The (2-Methylphenyl)acetaldehyde compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (2-Methylphenyl)acetaldehyde including the registry numbers is given below, if available:

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

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

  • What’s the chemical formula of (2-Methylphenyl)acetaldehyde?

  • How many atoms and what are they in the (2-Methylphenyl)acetaldehyde structure?

    20 atom(s) – 10 Hydrogen atom(s), 9 Carbon atom(s) and 1 Oxygen atom(s)
  • How many chemical bonds and what are they in 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 molecular weight of (2-Methylphenyl)acetaldehyde?

    134.1751 g/mol
  • What’s the SMILES string of (2-Methylphenyl)acetaldehyde?

  • What’s the InChI of (2-Methylphenyl)acetaldehyde?

  • What’s the InChIKey of (2-Methylphenyl)acetaldehyde?


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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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