Structure & Deep Data of METOLCARB (C9H11NO2)
Identification of METOLCARB Chemical Compound
Chemical Formula | C9H11NO2 |
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Molecular Weight | 165.18914 g/mol |
IUPAC Name | 3-methylphenyl N-methylcarbamate |
SMILES String | CNC(=O)Oc1cccc(C)c1 |
InChI | InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11) |
InChIKey | VOEYXMAFNDNNED-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The METOLCARB molecule contains a total of 23 bond(s). There are 12 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). Images of the chemical structure of METOLCARB are given below:
The 2D chemical structure image of METOLCARB is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of METOLCARB are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of METOLCARB is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of METOLCARB. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of METOLCARB is provided here.
The METOLCARB molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the METOLCARB molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of METOLCARB can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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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 METOLCARB Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of METOLCARB
The SMILES string of METOLCARB is CNC(=O)Oc1cccc(C)c1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the METOLCARB.
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Structure Data File (SDF/MOL File) of METOLCARB
The structure data file (SDF/MOL File) of METOLCARB is available for download in the SDF page of METOLCARB, which provides the information about the atoms, bonds, connectivity and coordinates of METOLCARB. The METOLCARB structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of METOLCARB
The molecular formula of METOLCARB is available in chemical formula page of METOLCARB, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of METOLCARB
The molecular weight of METOLCARB is available in molecular weight page of METOLCARB, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of METOLCARB
The METOLCARB compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of METOLCARB including the various registry numbers, if available:
- SR-01000641987-1
- C-04608
- K-0984
- Carbamic acid,N-methyl-, 3-methylphenyl ester
- Metolcarb, PESTANAL(R), analytical standard
- S268
- Carbamic acid, methyl-, 3-tolyl ester
- CCG-52777
- BDBM50004687
- HMS1432P14
- 4N7OMZ879V
- Carbamic acid, 3-tolyl ester
- Tumacide
- Dicresyl
- (3-methylphenyl) N-methylcarbamate
- Carbamic acid, N-methyl-, 3-methylphenyl ester
- m-Tolylester kyseliny methylkarbaminove [Czech]
- RCRA waste no. P190
- m-Tolylester kyseliny methylkarbaminove
- S 1065
- Dicresyl N-methylcarbamate
- Carbamic acid, methyl-, 3-methylphenyl ester
- Metholcarb [ISO-French]
- Carbamic acid, methyl-, m-tolyl ester
- Metolcarb [BSI:ISO]
- DRC 3341
- m-Cresyl ester of N-methylcarbamic acid
- Methylcarbamic acid m-tolyl ester
- 3-Methylphenyl methylcarbamate
- 1129-41-5
- m-Methylphenyl methylcarbamate
- Kumiai
- Tsumaunka
- Metholcarb
- m-Cresyl N-methylcarbamate
- 3-Tolyl N-methylcarbamate
- m-Tolyl N-methylcarbamate
- m-Cresyl methylcarbamate
- 3-Tolyl methylcarbamate
- MTMC
- Tsumacide
- Metacrate
- m-Tolyl methylcarbamate
- METOLCARB
METOLCARB Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of METOLCARB? |
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C9H11NO2 |
How many atoms and what are the elements included the METOLCARB molecule? |
23 atom(s) - 11 Hydrogen atom(s), 9 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the METOLCARB structure? |
23 bond(s) - 12 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 METOLCARB’s molecular weight? |
165.18914 g/mol |
What’s the SMILES code of METOLCARB? |
CNC(=O)Oc1cccc(C)c1 |
What’s the InChI string of METOLCARB? |
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11) |
What’s the InChIKey code of METOLCARB? |
VOEYXMAFNDNNED-UHFFFAOYSA-N |
1301
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).