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Molecular Weight 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

Molecular Weight Description

The 2-Coumaranone molecule consists of 6 Hydrogen atom(s), 8 Carbon atom(s), and 2 Oxygen atom(s) - a total of 16 atom(s). The molecular weight of 2-Coumaranone is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 134.13204 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

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

    In addition to the molecular weight information, the structural information of 2-Coumaranone in a textual expression is available via InChi. The full standard InChI of 2-Coumaranone is given below:

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

    It can provide a 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

    It may allow easier web searches for 2-Coumaranone. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 2-Coumaranone as the full standard InChI cannot be reconstructed from the InChIKey.

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

    There may be different names of the 2-Coumaranone compound depending on the various situations of industrial applications, which are given below including the registry numbers 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 formula of 2-Coumaranone?
C8H6O2
How many atoms and what are the elements in 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 types of bonds are 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 molar mass of 2-Coumaranone?
134.13204 g/mol
What’s the SMILES format of 2-Coumaranone?
O=C2Cc1ccccc1O2
What’s the InChI format 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 string of 2-Coumaranone?
ACZGCWSMSTYWDQ-UHFFFAOYSA-N

78 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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