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Molecule
Bendiocarb
CAS: 22781-23-3 · C11H13NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22781-23-3
- Molecular Formula
- C11H13NO4
- Molecular Mass
- 223.23 g/mol
Identifiers
CAS Registry Number
22781-23-3
SMILES
CN=C(O)Oc1cccc2c1OC(C)(C)O2
InChI Key
XEGGRYVFLWGFHI-UHFFFAOYSA-N
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)
Names and Synonyms
- Bendiocarb Common Name
- 1,3-Benzodioxol-4-ol, 2,2-dimethyl-, 4-(N-methylcarbamate) Synonym
- Carbamic acid, methyl-, 2,3-(isopropylidenedioxy)phenyl ester Synonym
- 1,3-Benzodioxol-4-ol, 2,2-dimethyl-, methylcarbamate Synonym
- Phenol, 2,3-(isopropylidenedioxy)-, methylcarbamate Synonym
- NC 6897 Synonym
- Fisons NC 6897 Synonym
- Bendiocarb Synonym
- Ficam Synonym
- Ficam 80W Synonym
- 2,2-Dimethyl-1,3-benzodioxol-4-yl N-methylcarbamate Synonym
- 2,2-Dimethyl-1,3-benzodioxol-4-yl methylcarbamate Synonym
- Ficam W Synonym
- Garvox Synonym
- Niomil Synonym
- Bencarbate Synonym
- Tatoo Synonym
- Seedox Synonym
- Seedox 80W Synonym
- Seedox (insecticide) Synonym
- Turcam Synonym
- Tattoo Synonym
- Dycarb Synonym
- Multamat Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.23 g/mol | CAS Common Chemistry |
| 223.22799999999995 g/mol | RDKit | |
| 223.228 g/mol | RDKit | |
| Density | 0.69 g/cm³ | CAS Common Chemistry |
| 0.69 g/cm3 @ 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 |
| 60.28 Ų | RDKit | |
| LogP | 2.1165 | RDKit |
| Molar Refractivity | 58.39280000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 223.084457896 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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60
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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.
External Resources
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MW = 223.23 g/mol; density = 0.690 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H13NO4.
