Structure & Deep Data of Methyl 4-ethoxybenzoate (C10H12O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Methyl 4-ethoxybenzoate molecule contains a total of 25 bond(s). There are 13 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aromatic), and 1 ether(s) (aromatic). Images of the chemical structure of Methyl 4-ethoxybenzoate are given below:

The 2D chemical structure image of Methyl 4-ethoxybenzoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methyl 4-ethoxybenzoate 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 Methyl 4-ethoxybenzoate 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 Methyl 4-ethoxybenzoate. Download structure data file (SDF/MOL) file of this compound.

---

chemical table area

Search Another Chemical Structure

Enter another compound to search for chemical structure:

Deep Data Application Examples

Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:

Additional Information for Identifying Methyl 4-ethoxybenzoate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Methyl 4-ethoxybenzoate

  The SMILES string of Methyl 4-ethoxybenzoate is CCOc1ccc(cc1)C(=O)OC, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Methyl 4-ethoxybenzoate.

• Structure Data File (SDF/MOL File) of Methyl 4-ethoxybenzoate

  The structure data file (SDF/MOL File) of Methyl 4-ethoxybenzoate is available for download in the SDF page of Methyl 4-ethoxybenzoate, which provides the information about the atoms, bonds, connectivity and coordinates of Methyl 4-ethoxybenzoate. The Methyl 4-ethoxybenzoate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Methyl 4-ethoxybenzoate

  The molecular formula of Methyl 4-ethoxybenzoate is available in chemical formula page of Methyl 4-ethoxybenzoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Methyl 4-ethoxybenzoate

  The molecular weight of Methyl 4-ethoxybenzoate is available in molecular weight page of Methyl 4-ethoxybenzoate, 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.

• Other names (synonyms) or registry numbers of Methyl 4-ethoxybenzoate

  The Methyl 4-ethoxybenzoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methyl 4-ethoxybenzoate including the various registry numbers, if available:

  • AR-1J6112
  • I01-2779
  • C-06702
  • A816839
  • P234
  • BBV-181866
  • MFCD00017264
  • 4-Ethoxybenzoic acid, methyl ester
  • TIMTEC-BB SBB041033
  • RARECHEM AL BF 0088

  • Jsp004738
  • W-107388
  • METHYL-p-ETHOXY BENZOATE
  • Benzoic acid, 4-ethoxy-, methyl ester
  • Methyl p-ethoxybenzoate
  • 4-Ethoxybenzoic acid methyl ester
  • 23676-08-6

---

Methyl 4-ethoxybenzoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Methyl 4-ethoxybenzoate?
C10H12O3
How many atoms and what are the elements included the Methyl 4-ethoxybenzoate molecule?
25 atom(s) - 12 Hydrogen atom(s), 10 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Methyl 4-ethoxybenzoate structure?
25 bond(s) - 13 non-H bond(s), 7 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aromatic), and 1 ether(s) (aromatic)
What’s the Methyl 4-ethoxybenzoate’s molecular weight?
180.20048 g/mol
What’s the SMILES code of Methyl 4-ethoxybenzoate?
CCOc1ccc(cc1)C(=O)OC
What’s the InChI string of Methyl 4-ethoxybenzoate?
InChI=1S/C10H12O3/c1-3-13-9-6-4-8(5-7-9)10(11)12-2/h4-7H,3H2,1-2H3
What’s the InChIKey code of Methyl 4-ethoxybenzoate?
RNHXTCZZACTEMK-UHFFFAOYSA-N

43 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).