| CAS Number | 105108-59-6 |
| Catalog Number | AG019E88(AGN-PC-0A4AX2) |
| Chemical Name | m-PEG3-4-nitrophenyl carbonate |
| IUPAC Name | 2-(2-methoxyethoxy)ethyl (4-nitrophenyl) carbonate |
| InChI | InChI=1S/C12H15NO7/c1-17-6-7-18-8-9-19-12(14)20-11-4-2-10(3-5-11)13(15)16/h2-5H,6-9H2,1H3 |
| InChI Key | PEBJXUZWQCMUAO-UHFFFAOYSA-N |
| MDL Number | MFCD30458048 |
| Molecular Formula | C12H15NO7 |
| Molecular Weight | 285.2500 |
| SMILES | O=C(OC1=CC=C(C=C1)N(=O)=O)OCCOCCOC |
| Synonyms | m-PEG3-4-nitrophenyl carbonate,
122011-38-5,
2-(2-Methoxyethoxy)ethyl 4-nitrophenyl carbonate,
SCHEMBL1104745,
105108-59-6,
BP-23305,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.252g/mol |
| Monoisotopic Mass | 285.085g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 99.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number