Home Chemical Structure 2-Coumaranone

Chemical Structure of 2-Coumaranone (C8H6O2)

Identification of 2-Coumaranone Chemical Compound

2D chemical structure image of 2-Coumaranone
Chemical Formula C8H6O2
Molecular Weight 134.13204 g/mol
IUPAC Name 2,3-dihydro-1-benzofuran-2-one
SMILES String O=C2Cc1ccccc1O2
InChI InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
InChIKey ACZGCWSMSTYWDQ-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-Coumaranone molecule contains a total of 17 bond(s). There are 11 non-H bond(s), 7 multiple bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s) and 1 ester(s) (aliphatic).
Images of the chemical structure of 2-Coumaranone are given below:

2D chemical structure image of 2-Coumaranone
2-dimensional (2D) chemical structure image of 2-Coumaranone
3D chemical structure image of 2-Coumaranone
3-dimensional (3D) chemical structure image of 2-Coumaranone

The 2D chemical structure image of 2-Coumaranone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Coumaranone 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-Coumaranone 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-Coumaranone.


An Interactive 3-dimensional (3D) Visualization of 2-Coumaranone

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

The 2-Coumaranone 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-Coumaranone 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-Coumaranone 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 a image file.


Additional Information for Identifying 2-Coumaranone Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Coumaranone

    The SMILES string of 2-Coumaranone is O=C2Cc1ccccc1O2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Coumaranone.

  • Structure Data File (SDF/MOL File) of 2-Coumaranone

    The structure data file (SDF/MOL File) of 2-Coumaranone is available for download in the SDF page of 2-Coumaranone, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Coumaranone. The 2-Coumaranone structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 2-Coumaranone

    The molecular formula of 2-Coumaranone is available in chemical formula page of 2-Coumaranone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 2-Coumaranone

    The molecular weight of 2-Coumaranone is available in molecular weight page of 2-Coumaranone, 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 2-Coumaranone

    The 2-Coumaranone 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-Coumaranone including the various registry numbers, if available:

    • 2-Coumaranone
    • Benzofuran-2(3H)-one
    • 553-86-6
    • 2(3H)-Benzofuranone
    • Benzofuran-2-one
    • Benzofuranone
    • 3H-benzofuran-2-one
    • 1-Benzofuran-2(3H)-one
    • (3H)-Benzofuran-2-one
    • Isocoumaranone
    • 2-Coumarotioiie
    • benzo[b]furan-2(3H)-one
    • 2,3-dihydro-1-benzofuran-2-one
    • 4K47Z4Q1E7
    • MFCD00005856
    • 111783-83-6
    • 2-Coumaronone
    • ISO-MYOSAMINE
    • 2-Coumaranone, 97%
    • 3H-1-benzofuran-2-one
    • EC 209-052-0
    • 3-hydrobenzo[b]furan-2-one
    • 2,3-dihydro-2-benzofuranone
    • 2,3-dihydrobenzofuran-2-one
    • 1-Benzofuran-2(3H)-one #
    • 2,3-dihydrobenzo[b]furan-2-one
    • CS-M0764
    • ANW-44323
    • BDBM50029069
    • RTX-012953
    • V6585
    • X8434
    • 3H-Benzofuran-2-one;1-Benzofuran-2(3H)-one
    • A26517
    • I14-7632
    • J-509185
    • AR-1C7296
    • BBV-34551755
    • EN300-21214
    • C-01506

2-Coumaranone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Coumaranone?
C8H6O2
How many atoms and what are the elements included the 2-Coumaranone molecule?
16 atom(s) – 6 Hydrogen atom(s), 8 Carbon atom(s) and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 2-Coumaranone structure?
17 bond(s) – 11 non-H bond(s), 7 multiple bond(s), 1 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 nine-membered ring(s) and 1 ester(s) (aliphatic)
What’s the 2-Coumaranone’s molecular weight?
134.13204 g/mol
What’s the SMILES code of 2-Coumaranone?
O=C2Cc1ccccc1O2
What’s the InChI string of 2-Coumaranone?
InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
What’s the InChIKey code of 2-Coumaranone?
ACZGCWSMSTYWDQ-UHFFFAOYSA-N

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