Structure & Deep Data of Deoxybenzoin (C14H12O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Deoxybenzoin molecule contains a total of 28 bond(s). There are 16 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 ketone(s) (aromatic). Images of the chemical structure of Deoxybenzoin are given below:

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

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Additional Information for Identifying Deoxybenzoin Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Deoxybenzoin

  The SMILES string of Deoxybenzoin is O=C(Cc1ccccc1)c2ccccc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Deoxybenzoin.

• Structure Data File (SDF/MOL File) of Deoxybenzoin

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

• Chemical formula of Deoxybenzoin

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

• Molecular weight of Deoxybenzoin

  The molecular weight of Deoxybenzoin is available in molecular weight page of Deoxybenzoin, 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 Deoxybenzoin

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

  • C-36431
  • BBV-184357
  • Deoxybenzoin; Benzyl phenyl ketone; alpha-Phenylacetophenone
  • Z56876371
  • W-106163
  • S14-0861
  • AH-034/32462010
  • A826725
  • EN300-17086
  • B0435

  • Benzyl phenyl ketone, 2-Phenylacetophenone
  • CAS-451-40-1
  • RTR-017210
  • CCG-103088
  • MFCD00003081
  • ANW-30216
  • HMS1407N21
  • F17V6C9PZX
  • 2-Phenylacetophenone, 97%
  • 1,2-Diphenyl-1-ethanone

  • 1,2-diphenyl ethanone
  • 1,2 diphenyl-ethanone
  • 1,2 diphenyl ethanone
  • benzylphenylketone
  • deoxy benzoin
  • F3297-0011
  • 1,2-diphenyl-ethanone
  • alpha-phenylacetophenone
  • a-phenylacetophenone
  • Acetophenone, 2-phenyl-

  • Benzoin, deoxy-
  • Phenyl benzyl ketone
  • DESOXYBENZOIN
  • Ethanone, 1,2-diphenyl-
  • Benzyl phenyl ketone
  • 451-40-1
  • 1,2-Diphenylethanone
  • 2-Phenylacetophenone
  • Deoxybenzoin

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Deoxybenzoin Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Deoxybenzoin?
C14H12O
How many atoms and what are the elements included the Deoxybenzoin molecule?
27 atom(s) - 12 Hydrogen atom(s), 14 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Deoxybenzoin structure?
28 bond(s) - 16 non-H bond(s), 13 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), and 1 ketone(s) (aromatic)
What’s the Deoxybenzoin’s molecular weight?
196.24448 g/mol
What’s the SMILES code of Deoxybenzoin?
O=C(Cc1ccccc1)c2ccccc2
What’s the InChI string of Deoxybenzoin?
InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
What’s the InChIKey code of Deoxybenzoin?
OTKCEEWUXHVZQI-UHFFFAOYSA-N

2146 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).