| CAS Number | 1807518-72-4 |
| Catalog Number | AG00I07R(AGN-PC-0WR1NL) |
| Chemical Name | Mal-PEG1-NHS ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-(2,5-dioxopyrrol-1-yl)ethoxy]propanoate |
| InChI | InChI=1S/C13H14N2O7/c16-9-1-2-10(17)14(9)6-8-21-7-5-13(20)22-15-11(18)3-4-12(15)19/h1-2H,3-8H2 |
| InChI Key | AMRJPIJPLBUEHO-UHFFFAOYSA-N |
| MDL Number | MFCD26127783 |
| Molecular Formula | C13H14N2O7 |
| Molecular Weight | 310.2595 |
| SMILES | O=C1N(C(C=C1)=O)CCOCCC(=O)ON1C(CCC1=O)=O |
| Synonyms | Mal-PEG1-NHS ester,
1807518-72-4,
2,5-Dioxopyrrolidin-1-yl 3-(2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy)propanoate,
BIPG1502,
SCHEMBL15503171,
ZINC110715794,
BP-21854,
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| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.262g/mol |
| Monoisotopic Mass | 310.08g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number