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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
Common Name
Glyphosate atar 48
Synonym
Faena
Synonym
Glydon
Synonym
2-[(Phosphonomethyl)amino]acetic acid
Synonym
Accord 4L
Synonym
Weedmaster 50SL
Synonym
Green Fire 50SL
Synonym
Gibson
Synonym
Safal
Synonym
Lancer (herbicide)
Synonym
Glifosan 747
Synonym
Scout
Synonym
Scout (herbicide)
Synonym
C-K Yuyos FAV
Synonym
Glifoglex
Synonym
Leone
Synonym
Ground Bio
Synonym
HM 2028
Synonym
Total
Synonym
GlyGran
Synonym
MON 3539
Synonym
Klinik
Synonym
Silglif
Synonym
Glyfos
Synonym
Gliz
Synonym
Gliz 480CS
Synonym
NSC 151063
Synonym
Kickdown
Synonym
Glyphomax
Synonym
Carboxymethylaminomethanephosphinic acid
Synonym
Lancer
Synonym
Glialka 36
Synonym
Herbatop
Synonym
Hockey
Synonym
Accord XRT II
Synonym
Glyphodin A
Synonym
Glyphosate CT
Synonym
Rebel Garden
Synonym
Folusen
Synonym
Phorsat
Synonym
Forsat
Synonym
Phosphonomethylglycine
Synonym
(Carboxymethylamino)methylphosphonic acid
Synonym
MON 6000
Synonym
N-Phosphomethylglycine
Synonym
Phosphonomethyliminoacetic acid
Synonym
Glialka
Synonym
MON 2139
Synonym
Glyphosate
Synonym
N-(Phosphonomethyl)glycine
Synonym
Glycine, N-(phosphonomethyl)-
Synonym
Atila
Synonym
Buccaneer
Synonym
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -1.2042000000000002 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.54959999999999 | RDKit |