| CAS Number | 77924-28-8 |
| Catalog Number | AG00G53I(AGN-PC-0UCN4T) |
| Chemical Name | 1-ETHYL-4-T-BUTYL-2-DIETHYLPHOSPHONOSUCCINATE |
| IUPAC Name | 4-O-tert-butyl 1-O-ethyl 2-diethoxyphosphorylbutanedioate |
| InChI | InChI=1S/C14H27O7P/c1-7-18-13(16)11(10-12(15)21-14(4,5)6)22(17,19-8-2)20-9-3/h11H,7-10H2,1-6H3 |
| InChI Key | KDVUGKRGJXYCHD-UHFFFAOYSA-N |
| MDL Number | MFCD09839323 |
| Molecular Formula | C14H27O7P |
| Molecular Weight | 338.3337 |
| SMILES | O=C(OCC)C(P(OCC)(OCC)=O)CC(OC(C)(C)C)=O |
| Synonyms | 77924-28-8,
1-ETHYL-4-T-BUTYL-2-DIETHYLPHOSPHONOSUCCINATE,
SCHEMBL1984906,
KDVUGKRGJXYCHD-UHFFFAOYSA-N,
MFCD09839323,
SC-74043,
4-tert-butyl 1-ethyl 2-(diethoxyphosphoryl)succinate,
1-Ethyl 4-(tert-Butyl) 2-(diethyl phosphono)succinate,
2-(Diethoxyphosphinyl)succinic acid 1-ethyl 4-tert-butyl ester,
Butanedioic acid 2-(diethoxyphosphoryl)-1-ethyl-4-ter-tbutyl ester,
Butanedioic acid, 2-(diethoxyphosphoryl)-1-ethyl-4-tertbuyl ester,
CID11121291,
Ethyl Tert-butyl 2-diethoxyphosphorylbutanedioate,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.337g/mol |
| Monoisotopic Mass | 338.149g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number