| CAS Number | 50350-99-7 |
| Catalog Number | AG00DKDV(AGN-PC-00K40S) |
| Chemical Name | propan-2-yl 2-(diethyl phosphono)acetate |
| IUPAC Name | propan-2-yl 2-diethoxyphosphorylacetate |
| InChI | InChI=1S/C9H19O5P/c1-5-12-15(11,13-6-2)7-9(10)14-8(3)4/h8H,5-7H2,1-4H3 |
| InChI Key | SWGMKWQNFIOGDY-UHFFFAOYSA-N |
| MDL Number | MFCD16876769 |
| Molecular Formula | C9H19O5P |
| Molecular Weight | 238.2179 |
| SMILES | C(C)OP(=O)(OCC)CC(=O)OC(C)C |
| Synonyms | 50350-99-7,
DIETHYL (ISOPROPYLOXYCARBONYLMETHYL)PHOSPHONATE,
Acetic acid, (diethoxyphosphinyl)-, 1-methylethyl ester,
Isopropyl 2-diethoxyphosphorylacetate,
isopropyl diethylphosphonoacetate,
SCHEMBL11529908,
CTK1G6908,
DTXSID00513125,
isopropyl (diethoxyphosphoryl)acetate,
MFCD16876769,
ZINC96395018,
AKOS017343069,
ACM50350997,
Propan-2-yl (diethoxyphosphoryl)acetate,
propan-2-yl 2-diethoxyphosphorylacetate,
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| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.22g/mol |
| Monoisotopic Mass | 238.097g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number