| CAS Number | 21658-92-4 |
| Catalog Number | AG007PIM(AGN-PC-0NJRP0) |
| Chemical Name | dimethyl (cyanomethyl)phosphonate |
| IUPAC Name | 2-dimethoxyphosphorylacetonitrile |
| InChI | InChI=1S/C4H8NO3P/c1-7-9(6,8-2)4-3-5/h4H2,1-2H3 |
| InChI Key | MOABFBADMALFGR-UHFFFAOYSA-N |
| MDL Number | MFCD00039486 |
| Molecular Formula | C4H8NO3P |
| Molecular Weight | 149.0850 |
| SMILES | COP(OC)(CC#N)=O |
| Synonyms | Dimethyl (cyanomethyl)phosphonate,
21658-92-4,
Phosphonic acid, (cyanomethyl)-, dimethyl ester,
Cyanomethyl-phosphonic acid dimethyl ester,
dimethoxyphosphorylacetonitrile,
Phosphonic acid, P-(cyanomethyl)-, dimethyl ester,
SCHEMBL1127967,
CTK0J7271,
DTXSID90505796,
ZINC88187421,
AKOS006274567,
2-dimethoxyphosphorylacetonitrile,
ACN-036991,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.086g/mol |
| Monoisotopic Mass | 149.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number