| CAS Number | 400607-94-5 |
| Catalog Number | AG00I7UN(AGN-PC-0JD64T) |
| Chemical Name | BEnzyl 3-(diethoxyphosphoryl)propanoate |
| IUPAC Name | benzyl 3-diethoxyphosphorylpropanoate |
| InChI | InChI=1S/C14H21O5P/c1-3-18-20(16,19-4-2)11-10-14(15)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3 |
| InChI Key | UFRWOUSOKWLOST-UHFFFAOYSA-N |
| MDL Number | MFCD29764401 |
| Molecular Formula | C14H21O5P |
| Molecular Weight | 300.2873 |
| SMILES | CCOP(=O)(CCC(=O)OCc1ccccc1)OCC |
| Synonyms | Benzyl 3-(diethoxyphosphoryl)propanoate,
400607-94-5,
SCHEMBL3047517,
CTK1D0161,
DTXSID40785985,
UFRWOUSOKWLOST-UHFFFAOYSA-N,
benzyl 3-diethylphosphonopropionate,
ZINC90475114,
Propanoic acid, 3-(diethoxyphosphinyl)-, phenylmethyl ester,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.291g/mol |
| Monoisotopic Mass | 300.113g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number