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Metolcarb
CAS: 1129-41-5 | C9H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1129-41-5
Molecular Formula:
C9H11NO2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
Metolcarb
Carbamic acid, N-methyl-, 3-methylphenyl ester
Carbamic acid, methyl-, m-tolyl ester
Carbamic acid, methyl-, 3-methylphenyl ester
m-Cresyl methylcarbamate
m-Tolyl methylcarbamate
DRC 3341
Tsumacide
MTMC
3-Methylphenyl methylcarbamate
3-Tolyl methylcarbamate
m-Cresyl N-methylcarbamate
m-Methylphenyl methylcarbamate
Metacrate
S 1065
Tsumaunka
m-Methylphenyl N-methylcarbamate
Metolcarb
NSC 91193
Identifiers:
SMILES:
CN=C(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)
Key Properties
Melting Point
76-77 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.078978592 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Metolcarb | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1=CC=CC(=C1)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=VOEYXMAFNDNNED-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 76-77 °C | CAS Common Chemistry |
| Name | Metolcarb | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| LogP | 1.91762 | RDKit |
| Molar Refractivity | 47.79480000000003 | RDKit |
