| CAS Number | 71140-70-0 |
| Catalog Number | AG005XC3(AGN-PC-0N3I1P) |
| Chemical Name | SODIUM 5-(DIPHENYLPHOSPHINOYL)PENTANOATE |
| IUPAC Name | sodium;5-diphenylphosphorylpentanoate |
| InChI | InChI=1S/C17H19O3P.Na/c18-17(19)13-7-8-14-21(20,15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13-14H2,(H,18,19);/q;+1/p-1 |
| InChI Key | FPELTQBQNWIJFD-UHFFFAOYSA-M |
| MDL Number | MFCD11045848 |
| Molecular Formula | C17H19O3P |
| Molecular Weight | 302.3047 |
| SMILES | OC(=O)CCCCP(=O)(c1ccccc1)c1ccccc1 |
| Synonyms | Sodium 5-(diphenylphosphinoyl)pentanoate,
71140-70-0,
CTK5D3569,
DTXSID20677213,
AKOS025295654,
Sodium 5-(diphenylphosphoryl)pentanoate,
TX-010285,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.292g/mol |
| Monoisotopic Mass | 324.089g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 57.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number