Structure & Deep Data of BUTYROPHENONE (C10H12O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The BUTYROPHENONE molecule contains a total of 23 bond(s). There are 11 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), and 1 ketone(s) (aromatic). Images of the chemical structure of BUTYROPHENONE are given below:

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

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Additional Information for Identifying BUTYROPHENONE Molecule

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

  The SMILES string of BUTYROPHENONE is CCCC(=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 BUTYROPHENONE.

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

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

• Chemical formula of BUTYROPHENONE

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

• Molecular weight of BUTYROPHENONE

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

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

  • T6029603
  • C-02631
  • BBV-46883953
  • F0001-1286
  • W-106021
  • J-505070
  • I01-7682
  • A827738
  • B0769
  • M744

  • CAS-495-40-9
  • RTR-017814
  • 1-Phenyl-1-butanone; n-Butyrophenone
  • MFCD00009397
  • ANW-30784
  • 186I11WB5B
  • Butyrophenone, analytical standard
  • Butyrophenone, 99% 50g
  • 495-40-9 butyrophenone
  • 1-Phenyl-butan-1-one

  • propylphenylketone
  • Butyrophenone, >=99%
  • Propyl phenyl ketone
  • 1-Phenyl-1-butanone
  • 1-Butanone, 1-phenyl-
  • Phenyl propyl ketone
  • 495-40-9
  • n-Butyrophenone
  • BUTYROPHENONE

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BUTYROPHENONE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of BUTYROPHENONE?
C10H12O
How many atoms and what are the elements included the BUTYROPHENONE molecule?
23 atom(s) - 12 Hydrogen atom(s), 10 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the BUTYROPHENONE structure?
23 bond(s) - 11 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), and 1 ketone(s) (aromatic)
What’s the BUTYROPHENONE’s molecular weight?
148.20168 g/mol
What’s the SMILES code of BUTYROPHENONE?
CCCC(=O)c1ccccc1
What’s the InChI string of BUTYROPHENONE?
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
What’s the InChIKey code of BUTYROPHENONE?
FFSAXUULYPJSKH-UHFFFAOYSA-N

2753 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).