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Kresoxim-Methyl
CAS: 143390-89-0 | C18H19NO4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
143390-89-0
Molecular Formula:
C18H19NO4
Molecular Mass:
313.35 g/mol
Names and Synonyms:
Kresoxim-Methyl
Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (αE)-
Benzeneacetic acid, α-(methoxyimino)-2-[(2-methylphenoxy)methyl]-, methyl ester, (E)-
BAS 490F
BAS 490-02F
Kresoxim-methyl
Candit
Strob 1
Discus
Discus (fungicide)
Stroby
Cygnus
Stroby WG
RIL-FA 200
Ergon
Ergon (fungicide)
Stroby DF
Kresoxim-Me
Sovran
Cygnus 50 WG
Methyl (E)-methoxyimino[α-(o-tolyloxy)-o-tolyl]acetate
Identifiers:
SMILES:
CO/N=C(/C(=O)OC)c1ccccc1COc1ccccc1C
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+
Key Properties
Melting Point
97.2-101.7 °C
CAS Common Chemistry
Density
125.80 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 | 313.35 g/mol | CAS Common Chemistry |
| 313.353 g/mol | RDKit | |
| 313.131408088 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 |
| LogP | 3.097520000000002 | RDKit |
| Molar Refractivity | 87.51500000000006 | RDKit |
