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Molecule
Glyphosate
CAS: 1071-83-6 · C3H8NO5P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1071-83-6
- Molecular Formula
- C3H8NO5P
- Molecular Mass
- 169.07 g/mol
Identifiers
CAS Registry Number
1071-83-6
SMILES
O=C(O)CNCP(=O)(O)O
InChI Key
XDDAORKBJWWYJS-UHFFFAOYSA-N
InChI
InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
Names and Synonyms
- Glyphosate Common Name
- Buccaneer Synonym
- Atila Synonym
- Glycine, N-(phosphonomethyl)- Synonym
- N-(Phosphonomethyl)glycine Synonym
- Glyphosate Synonym
- MON 2139 Synonym
- Glialka Synonym
- Phosphonomethyliminoacetic acid Synonym
- N-Phosphomethylglycine Synonym
- MON 6000 Synonym
- (Carboxymethylamino)methylphosphonic acid Synonym
- Phosphonomethylglycine Synonym
- Forsat Synonym
- Phorsat Synonym
- Folusen Synonym
- Rebel Garden Synonym
- Glyphosate CT Synonym
- Glyphodin A Synonym
- Accord XRT II Synonym
- Hockey Synonym
- Herbatop Synonym
- Glialka 36 Synonym
- Lancer Synonym
- Carboxymethylaminomethanephosphinic acid Synonym
- Glyphomax Synonym
- Kickdown Synonym
- NSC 151063 Synonym
- Gliz 480CS Synonym
- Gliz Synonym
- Glyfos Synonym
- Silglif Synonym
- Klinik Synonym
- MON 3539 Synonym
- GlyGran Synonym
- Total Synonym
- HM 2028 Synonym
- Ground Bio Synonym
- Leone Synonym
- Glifoglex Synonym
- C-K Yuyos FAV Synonym
- Scout (herbicide) Synonym
- Scout Synonym
- Glifosan 747 Synonym
- Lancer (herbicide) Synonym
- Safal Synonym
- Gibson Synonym
- Green Fire 50SL Synonym
- Weedmaster 50SL Synonym
- Accord 4L Synonym
- 2-[(Phosphonomethyl)amino]acetic acid Synonym
- Glydon Synonym
- Faena Synonym
- Glyphosate atar 48 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.07 g/mol | CAS Common Chemistry |
| 169.073 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 |
| 106.86 Ų | RDKit | |
| LogP | -1.2042000000000002 | RDKit |
| -1.2042 | RDKit | |
| Molar Refractivity | 32.54959999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 169.014008986 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 169.07 g/mol; density = 0.500 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8NO5P.
