SDF/Mol File of Cosban (C10H13NO2)
Identification of Cosban Chemical Compound
Chemical Formula | C10H13NO2 |
---|---|
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 |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Cosban is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Cosban molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
chemical table area
Search Another SDF·MOL File
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- CAS #: 64-17-5
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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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Chemical structure of Cosban
By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Cosban
The chemical formula of Cosban is given in chemical formula page of Cosban, 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 Cosban
An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of Cosban including the registry numbers are listed 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 Cosban formula? |
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C10H13NO2 |
How many atoms and what elements are included in the Cosban molecule? |
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 kind of bonds are 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 Cosban’s molar mass? |
179.21572 g/mol |
What’s the SMILES structure of Cosban? |
CNC(=O)Oc1cc(C)cc(C)c1 |
What’s the InChI code 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 format 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).