| CAS Number | 104943-23-9 |
| Catalog Number | AG009507(AGN-PC-0JCMLH) |
| Chemical Name | Nonanoic acid, 2,5-dioxo-1-pyrrolidinyl ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) nonanoate |
| InChI | InChI=1S/C13H21NO4/c1-2-3-4-5-6-7-8-13(17)18-14-11(15)9-10-12(14)16/h2-10H2,1H3 |
| InChI Key | OVQHBHMRZFPJME-UHFFFAOYSA-N |
| MDL Number | MFCD28125395 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | CCCCCCCCC(ON1C(CCC1=O)=O)=O |
| Synonyms | 104943-23-9,
2,5-dioxopyrrolidin-1-yl nonanoate,
Nonanoic acid, 2,5-dioxo-1-pyrrolidinyl ester,
2,5-Pyrrolidinedione, 1-[(1-oxononyl)oxy]-,
ACMC-20m7sp,
SCHEMBL4749529,
CTK0G5887,
DTXSID90761653,
MFCD28125395,
1-(Nonanoyloxy)pyrrolidine-2,5-dione,
ZINC168740616,
CS-0059804,
ACN-041981,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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