| CAS Number | 35236-60-3 |
| Catalog Number | AG01EJS5(AGN-PC-0N0SZP) |
| Chemical Name | (cyanomethyl)phosphonic acid |
| IUPAC Name | cyanomethylphosphonic acid |
| InChI | InChI=1S/C2H4NO3P/c3-1-2-7(4,5)6/h2H2,(H2,4,5,6) |
| InChI Key | SAFQZYRQIXIKDC-UHFFFAOYSA-N |
| MDL Number | MFCD31665107 |
| Molecular Formula | C2H4NO3P |
| Molecular Weight | 121.0318 |
| SMILES | C(#N)CP(O)(O)=O |
| Synonyms | Cyanomethylphosphonic Acid,
(cyanomethyl)phosphonic acid,
SCHEMBL170190,
AKOS034129121,
35236-60-3,
CID10219424,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.032g/mol |
| Monoisotopic Mass | 120.993g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number