| CAS Number | 2173111-94-7 |
| Catalog Number | AG01FNBF(AGN-PC-3H5NFN) |
| Chemical Name | 2-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]acetic acid ethyl ester |
| IUPAC Name | ethyl 2-[2-cyanoethoxy-(4,4-diphenylcyclohexyl)oxyphosphoryl]oxyacetate |
| InChI | InChI=1S/C25H30NO6P/c1-2-29-24(27)20-31-33(28,30-19-9-18-26)32-23-14-16-25(17-15-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23H,2,9,14-17,19-20H2,1H3 |
| InChI Key | YKFCBIQNANZBIM-UHFFFAOYSA-N |
| MDL Number | MFCD30721944 |
| Molecular Formula | C25H30NO6P |
| Molecular Weight | 471.4826 |
| SMILES | CCOC(=O)COP(=O)(OCCC#N)OC1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonyms | 2-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]acetic Acid Ethyl Ester,
Ethyl 2-[(2-Cyanoethoxy)(4,4-diphenylcyclohexyloxy)phosphoryloxy]acetate,
E1268,
2173111-94-7,
N/A,
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| Complexity | 679 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 471.181075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.5g/mol |
| Monoisotopic Mass | 471.181075g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 94.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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