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Bendiocarb
CAS: 22781-23-3 | C11H13NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22781-23-3
Molecular Formula:
C11H13NO4
Molecular Mass:
223.23 g/mol
Names and Synonyms:
Bendiocarb
1,3-Benzodioxol-4-ol, 2,2-dimethyl-, 4-(N-methylcarbamate)
Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester
1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methylcarbamate
Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate
NC 6897
Fisons NC 6897
Bendiocarb
Ficam
Ficam 80W
2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate
2,2-Dimethyl-1,3-benzodioxol-4-yl methylcarbamate
Ficam W
Garvox
Niomil
Bencarbate
Tatoo
Seedox
Seedox 80W
Seedox (insecticide)
Turcam
Tattoo
Dycarb
Multamat
Identifiers:
SMILES:
CN=C(O)Oc1cccc2c1OC(C)(C)O2
InChI:
InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
Key Properties
Melting Point
129-130 °C
CAS Common Chemistry
Density
0.69 g/cm³
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 | 223.23 g/mol | CAS Common Chemistry |
| 223.22799999999995 g/mol | RDKit | |
| 223.084457896 g/mol | RDKit | |
| Density | 0.69 g/cm³ | CAS Common Chemistry |
| 0.69 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bendiocarb | CAS Common Chemistry |
| Canonical SMILES | O=C(OC1=CC=CC=2OC(OC12)(C)C)NC | CAS Common Chemistry |
| InChI | InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=XEGGRYVFLWGFHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129-130 °C | CAS Common Chemistry |
| Name | Bendiocarb | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 60.280000000000015 Ų | RDKit |
| LogP | 2.1165 | RDKit |
| Molar Refractivity | 58.39280000000004 | RDKit |
