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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 Mass:
169.07 g/mol
Names and Synonyms:
Glyphosate
Buccaneer
Atila
Glycine, N-(phosphonomethyl)-
N-(Phosphonomethyl)glycine
Glyphosate
MON 2139
Glialka
Phosphonomethyliminoacetic acid
N-Phosphomethylglycine
MON 6000
(Carboxymethylamino)methylphosphonic acid
Phosphonomethylglycine
Forsat
Phorsat
Folusen
Rebel Garden
Glyphosate CT
Glyphodin A
Accord XRT II
Hockey
Herbatop
Glialka 36
Lancer
Carboxymethylaminomethanephosphinic acid
Glyphomax
Kickdown
NSC 151063
Gliz 480CS
Gliz
Glyfos
Silglif
Klinik
MON 3539
GlyGran
Total
HM 2028
Ground Bio
Leone
Glifoglex
C-K Yuyos FAV
Scout (herbicide)
Scout
Glifosan 747
Lancer (herbicide)
Safal
Gibson
Green Fire 50SL
Weedmaster 50SL
Accord 4L
2-[(Phosphonomethyl)amino]acetic acid
Glydon
Faena
Glyphosate atar 48
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)
Key Properties
Melting Point
230 °C (decomp)
CAS Common Chemistry
Density
0.50 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 | 169.07 g/mol | CAS Common Chemistry |
| 169.073 g/mol | RDKit | |
| 169.014008986 g/mol | RDKit | |
| Density | 0.50 g/cm³ | CAS Common Chemistry |
| 0.5 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Glyphosate | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CNCP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=XDDAORKBJWWYJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C (decomp) | CAS Common Chemistry |
| Name | Glyphosate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 106.86000000000001 Ų | RDKit |
| LogP | -1.2042000000000002 | RDKit |
| Molar Refractivity | 32.54959999999999 | RDKit |
