Back to Search
Molecule
Kresoxim-Methyl
CAS: 143390-89-0 · C18H19NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 143390-89-0
- Molecular Formula
- C18H19NO4
- Molecular Mass
- 313.35 g/mol
Identifiers
CAS Registry Number
143390-89-0
SMILES
CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C
InChI Key
ZOTBXTZVPHCKPN-HTXNQAPBSA-N
InChI
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
Names and Synonyms
- Kresoxim-Methyl Common Name
- Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (αE)- Synonym
- Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)- Synonym
- BAS 490F Synonym
- BAS 490-02F Synonym
- Kresoxim-methyl Synonym
- Candit Synonym
- Strob 1 Synonym
- Discus Synonym
- Discus (fungicide) Synonym
- Stroby Synonym
- Cygnus Synonym
- Stroby WG Synonym
- RIL-FA 200 Synonym
- Ergon Synonym
- Ergon (fungicide) Synonym
- Stroby DF Synonym
- Kresoxim-Me Synonym
- Sovran Synonym
- Cygnus 50 WG Synonym
- Methyl (E)-methoxyimino[α-(o-tolyloxy)-o-tolyl]acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 313.35 g/mol | CAS Common Chemistry |
| 313.353 g/mol | RDKit | |
| Density | 125.80 g/cm³ | CAS Common Chemistry |
| 125.8 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(OC)C(=NOC)C=1C=CC=CC1COC=2C=CC=CC2C | CAS Common Chemistry |
| InChI | InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+ | CAS Common Chemistry |
| InChI Key | InChIKey=ZOTBXTZVPHCKPN-HTXNQAPBSA-N | CAS Common Chemistry |
| Melting Point | 97.2-101.7 °C | CAS Common Chemistry |
| Name | Kresoxim-methyl | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.120000000000005 Ų | RDKit |
| 57.12 Ų | RDKit | |
| LogP | 3.097520000000002 | RDKit |
| 3.0975 | RDKit | |
| Molar Refractivity | 87.51500000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 313.131408088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 313.35 g/mol; density = 125.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H19NO4.
