Molecular Weight of 2-(Quinoxalin-6-yl)acetic acid (C10H8N2O2)
Identification of 2-(Quinoxalin-6-yl)acetic acid Chemical Compound
Chemical Formula | C10H8N2O2 |
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Molecular Weight | 188.18272 g/mol |
IUPAC Name | 2-(quinoxalin-6-yl)acetic acid |
SMILES String | OC(=O)Cc2ccc1nccnc1c2 |
InChI | InChI=1S/C10H8N2O2/c13-10(14)6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6H2,(H,13,14) |
InChIKey | NRRFVLPMUSJDJY-UHFFFAOYSA-N |
Molecular Weight Description
The 2-(Quinoxalin-6-yl)acetic acid molecule consists of 8 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s) - a total of 22 atom(s). The molecular weight of 2-(Quinoxalin-6-yl)acetic acid is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 188.18272 · \frac{g}{mol} $$
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.
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying 2-(Quinoxalin-6-yl)acetic acid Molecule
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Structure Data File (SDF/MOL File) of 2-(Quinoxalin-6-yl)acetic acid
The structure data file (SDF/MOL File) of 2-(Quinoxalin-6-yl)acetic acid is available for download in the SDF page of 2-(Quinoxalin-6-yl)acetic acid, which provides the information on atoms, bonds, connectivity and coordinates of 2-(Quinoxalin-6-yl)acetic acid. The 2-(Quinoxalin-6-yl)acetic acid structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of 2-(Quinoxalin-6-yl)acetic acid
The molecular structure image of 2-(Quinoxalin-6-yl)acetic acid is available in chemical structure page of 2-(Quinoxalin-6-yl)acetic acid, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 2-(Quinoxalin-6-yl)acetic acid and the chemical bonds that hold the atoms together.
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Chemical formula of 2-(Quinoxalin-6-yl)acetic acid
The molecular formula of 2-(Quinoxalin-6-yl)acetic acid is given in chemical formula page of 2-(Quinoxalin-6-yl)acetic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2-(Quinoxalin-6-yl)acetic acid
In addition to the molecular weight information, the structural information of 2-(Quinoxalin-6-yl)acetic acid in a textual expression is available via InChi. The full standard InChI of 2-(Quinoxalin-6-yl)acetic acid is given below:
InChI=1S/C10H8N2O2/c13-10(14)6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6H2,(H,13,14)
It can provide a way to encode the molecular information of 2-(Quinoxalin-6-yl)acetic acid 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-(Quinoxalin-6-yl)acetic acid is:
InChIKey=NRRFVLPMUSJDJY-UHFFFAOYSA-N
It may allow easier web searches for 2-(Quinoxalin-6-yl)acetic acid. 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-(Quinoxalin-6-yl)acetic acid as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-(Quinoxalin-6-yl)acetic acid
There may be different names of the 2-(Quinoxalin-6-yl)acetic acid compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- J-506602
- C-2089
- Y5443
- 4CH-002321
- MFCD09880609
- 6-(Carboxymethyl)quinoxaline
- quinoxalin-6-yl-acetic acid
- 6-Quinoxalineacetic acid
- quinoxalin-6-ylacetic acid
- (Quinoxalin-6-yl)acetic acid
- Quinoxaline-6-acetic acid
- 473932-16-0
2-(Quinoxalin-6-yl)acetic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the formula of 2-(Quinoxalin-6-yl)acetic acid? |
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C10H8N2O2 |
How many atoms and what are the elements in the 2-(Quinoxalin-6-yl)acetic acid molecule? |
22 atom(s) - 8 Hydrogen atom(s), 10 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what types of bonds are in the 2-(Quinoxalin-6-yl)acetic acid structure? |
23 bond(s) - 15 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the molar mass of 2-(Quinoxalin-6-yl)acetic acid? |
188.18272 g/mol |
What’s the SMILES format of 2-(Quinoxalin-6-yl)acetic acid? |
OC(=O)Cc2ccc1nccnc1c2 |
What’s the InChI format of 2-(Quinoxalin-6-yl)acetic acid? |
InChI=1S/C10H8N2O2/c13-10(14)6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6H2,(H,13,14) |
What’s the InChIKey string of 2-(Quinoxalin-6-yl)acetic acid? |
NRRFVLPMUSJDJY-UHFFFAOYSA-N |
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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).