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Glyphosate
CAS: 1071-83-6 | C3H8NO5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1071-83-6
Molecular Formula:
C3H8NO5P
Molecular Weight:
169.073 g/mol
Names and Synonyms:
Glyphosate
Glyphosate atar 48
Faena
Glydon
2-[(Phosphonomethyl)amino]acetic acid
Accord 4L
Weedmaster 50SL
Green Fire 50SL
Gibson
Safal
Lancer (herbicide)
Glifosan 747
Scout
Scout (herbicide)
C-K Yuyos FAV
Glifoglex
Leone
Ground Bio
HM 2028
Total
GlyGran
MON 3539
Klinik
Silglif
Glyfos
Gliz
Gliz 480CS
NSC 151063
Kickdown
Glyphomax
Carboxymethylaminomethanephosphinic acid
Lancer
Glialka 36
Herbatop
Hockey
Accord XRT II
Glyphodin A
Glyphosate CT
Rebel Garden
Folusen
Phorsat
Forsat
Phosphonomethylglycine
(Carboxymethylamino)methylphosphonic acid
MON 6000
N-Phosphomethylglycine
Phosphonomethyliminoacetic acid
Glialka
MON 2139
Glyphosate
N-(Phosphonomethyl)glycine
Glycine, N-(phosphonomethyl)-
Atila
Buccaneer
Identifiers:
SMILES:
O=C(O)CNCP(=O)(O)O
InChI:
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-inchi-key | InChIKey=XDDAORKBJWWYJS-UHFFFAOYSA-N None | Legacy Database |
| molecular_mass | 169.07 g/mol | Legacy Database |
| density | 0.50 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Glyphosate None | Legacy Database |
| cas-canonical-smile | O=C(O)CNCP(=O)(O)O None | Legacy Database |
| cas-density | 0.5 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) None | Legacy Database |
| cas-melting-point | 230 °C (decomp) None | Legacy Database |
| cas-name | Glyphosate None | Legacy Database |
| wikipedia-name | Glyphosate None | Legacy Database |
| LogP | -1.2042000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 169.073 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 169.014008986 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 106.86000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.54959999999999 | RDKit |
