| CAS Number | 89197-69-3 |
| Catalog Number | AG003VWE(AGN-PC-0JNJQH) |
| Chemical Name | Dibutyl-3-Hydroxybutyl Phosphate |
| IUPAC Name | dibutyl 3-hydroxybutyl phosphate |
| InChI | InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3 |
| InChI Key | LJBNHONKIDIOPD-UHFFFAOYSA-N |
| MDL Number | MFCD29039606 |
| Molecular Formula | C12H27O5P |
| Molecular Weight | 282.3135 |
| SMILES | CC(O)CCOP(OCCCC)(OCCCC)=O |
| Synonyms | dibutyl 3-hydroxybutyl phosphate,
89197-69-3,
4-dibutoxyphosphoryloxybutan-2-ol,
AC1L4LDN,
CTK5G2622,
di-butyl 3-hydroxybutyl phosphate,
AKOS030594251,
CID187696,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.317g/mol |
| Monoisotopic Mass | 282.16g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 65A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number