| CAS Number | 500347-73-9 |
| Catalog Number | AG00I8XG(AGN-PC-0S5THK) |
| Chemical Name | PEG3-bis(phosphonic acid diethyl ester) |
| IUPAC Name | 2-(2-diethoxyphosphoryloxyethoxy)ethyl diethyl phosphate |
| InChI | InChI=1S/C12H28O9P2/c1-5-16-22(13,17-6-2)20-11-9-15-10-12-21-23(14,18-7-3)19-8-4/h5-12H2,1-4H3 |
| InChI Key | CJAGHBDQWWLWAX-UHFFFAOYSA-N |
| MDL Number | MFCD26127817 |
| Molecular Formula | C12H28O9P2 |
| Molecular Weight | 378.2928 |
| NSC Number | 44210 |
| SMILES | CCOP(=O)(OCC)OCCOCCOP(=O)(OCC)OCC |
| Synonyms | PEG3-bis(phosphonic acid diethyl ester),
NSC44210,
500347-73-9,
2-(2-diethoxyphosphoryloxyethoxy)ethyl diethyl phosphate,
7-Ethoxy-7-oxido-3,6,8-trioxa-7-phosphadec-1-yl diethyl phosphate,
AC1L62SI,
SCHEMBL117529,
CTK6G4411,
ZINC4803118,
NSC-44210,
BP-21813,
CID239285,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.295g/mol |
| Monoisotopic Mass | 378.121g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 98.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number