Formula of Cosban (C10H13NO2)
Identification of Cosban Chemical Compound
Chemical Formula | C10H13NO2 |
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Molecular Weight | 179.21572 g/mol |
IUPAC Name | 3,5-dimethylphenyl N-methylcarbamate |
SMILES String | CNC(=O)Oc1cc(C)cc(C)c1 |
InChI | InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12) |
InChIKey | CVQODEWAPZVVBU-UHFFFAOYSA-N |
Chemical Formula Description
The Cosban molecule contains a total of 26 atom(s). There are 13 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s). A chemical formula of Cosban can therefore be written as:
C10H13NO2
The chemical formula of Cosban 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.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Cosban Molecule
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Structure Data File (SDF/MOL File) of Cosban
The structure data file (SDF/MOL File) of Cosban is available for download in the SDF page of Cosban providing the information about the atoms, bonds, connectivity and coordinates of Cosban, which is not completely available in the chemical formula representation. The Cosban structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Cosban
The chemical structure image of Cosban is available in chemical structure page of Cosban, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Cosban and the chemical bonds that hold the atoms together.
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Molecular weight of Cosban
The molecular weight of Cosban is available in molecular weight page of Cosban, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Cosban.
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InChI (IUPAC International Chemical Identifier) information of Cosban
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Cosban is:
InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
It can provide a standard way to encode the molecular information of Cosban 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 Cosban is:
InChIKey=CVQODEWAPZVVBU-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Cosban, but it needs to be linked to the full InChI to get back to the original structure of the Cosban since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Cosban
The Cosban compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Cosban including the registry numbers is given below, if available:
- Phenol, 3,5-dimethyl-, methylcarbamate (9CI)
- Phenol,5-dimethyl-, methylcarbamate
- S0Z6GJ0V0R
- 3,5-Dimethylphenyl methylcarbamate (9CI)
- 3,5-Xylyl methylcarbamate (8CI)
- 3, methylcarbamate
- (3,5-dimethylphenyl) N-methylcarbamate
- 3,5-Xylylester kyseliny methylkarbaminove [Czech]
- 3,5-Xylylester kyseliny methylkarbaminove
- S 1041
- 3,5-Dimethylphenol methylcarbamate
- Phenol, 3,5-dimethyl-, methylcarbamate
- XMC (VAN)
- Carbamic acid, methyl-, 3,5-xylyl ester
- H-69
- N-Methyl-3,5-xylyl carbamate
- Methylcarbamic acid 3,5-xylyl ester
- DRC 3340
- XMC
- 2655-14-3
- 3,5-Xylenol, methylcarbamate
- Maqbal
- Carbaron
- 3,5-Xylenyl N-methylcarbamate
- 3,5-Dimethylphenyl Methylcarbamate
- 3,5-Xylyl N-methylcarbamate
- 3,5-XYLYL METHYLCARBAMATE
- 3,5-Xmc
- XMC (pesticide)
- Macbal
- Maqbarl
- Cosban
Cosban Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of Cosban? |
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C10H13NO2 |
How many atoms and what are they in the Cosban structure? |
26 atom(s) - 13 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what are they in the Cosban structure? |
26 bond(s) - 13 non-H bond(s), 7 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 (thio-) carbamate(s) (aromatic) |
What’s the molecular weight of Cosban? |
179.21572 g/mol |
What’s the SMILES string of Cosban? |
CNC(=O)Oc1cc(C)cc(C)c1 |
What’s the InChI of Cosban? |
InChI=1S/C10H13NO2/c1-7-4-8(2)6-9(5-7)13-10(12)11-3/h4-6H,1-3H3,(H,11,12) |
What’s the InChIKey of Cosban? |
CVQODEWAPZVVBU-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).