| CAS Number | 39997-40-5 |
| Catalog Number | AG01E4EK(AGN-PC-0JOTIV) |
| Chemical Name | diethyl (2-hydroxyethyl)phosphonate |
| IUPAC Name | 2-diethoxyphosphorylethanol |
| InChI | InChI=1S/C6H15O4P/c1-3-9-11(8,6-5-7)10-4-2/h7H,3-6H2,1-2H3 |
| InChI Key | KXXHZVHYFQSELL-UHFFFAOYSA-N |
| MDL Number | MFCD00192030 |
| Molecular Formula | C6H15O4P |
| Molecular Weight | 182.1547 |
| NSC Number | 221271 |
| SMILES | CCOP(OCC)(CCO)=O |
| Synonyms | diethyl 2-hydroxyethylphosphonate,
39997-40-5,
CHEMBL3786626,
2-diethoxyphosphorylethanol,
NSC221271,
AC1L7KUP,
SCHEMBL993811,
DTXSID60310016,
diethyl-(hydroxyethyl)-phosphonate,
KXXHZVHYFQSELL-UHFFFAOYSA-N,
Diethyl(2-hydroxyethyl)phosphonate,
BDBM50160406,
NSC-221271,
2-hydroxyethane-phosphonic acid diethyl ester,
Phosphonic acid, P-(2-hydroxyethyl)-, diethyl ester,
CID312225,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.156g/mol |
| Monoisotopic Mass | 182.071g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number