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Formula 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 Formula Description

The 2-Coumaranone molecule contains a total of 16 atom(s). There are 6 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s). A chemical formula of 2-Coumaranone can therefore be written as:

C8H6O2

The chemical formula of 2-Coumaranone 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.

3D chemical structure image of 2-Coumaranone
Ball-and-stick model of 2-Coumaranone

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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

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Additional Information for Identifying 2-Coumaranone Molecule


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

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

    InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2

    It can provide a standard way to encode the molecular information of 2-Coumaranone 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-Coumaranone is:

    InChIKey=ACZGCWSMSTYWDQ-UHFFFAOYSA-N

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

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

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

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

2-Coumaranone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Coumaranone?
C8H6O2
How many atoms and what are they in the 2-Coumaranone structure?
16 atom(s) - 6 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what are they in 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 molecular weight of 2-Coumaranone?
134.13204 g/mol
What’s the SMILES string of 2-Coumaranone?
O=C2Cc1ccccc1O2
What’s the InChI 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 of 2-Coumaranone?
ACZGCWSMSTYWDQ-UHFFFAOYSA-N

50 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).

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