| CAS Number | 70687-35-3 |
| Catalog Number | AG005SU7(AGN-PC-008TKI) |
| Chemical Name | 5-Methoxy-1-methylpyrrolidin-2-one |
| IUPAC Name | 5-methoxy-1-methylpyrrolidin-2-one |
| InChI | InChI=1S/C6H11NO2/c1-7-5(8)3-4-6(7)9-2/h6H,3-4H2,1-2H3 |
| InChI Key | JGPIBNUVBCWHMU-UHFFFAOYSA-N |
| MDL Number | MFCD30476202 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | COC1N(C)C(=O)CC1 |
| Synonyms | 5-methoxy-1-methylpyrrolidin-2-one,
70687-35-3,
2-Pyrrolidinone, 5-methoxy-1-methyl-,
SCHEMBL2047995,
CTK2H4558,
methyl -2-methoxy-5-pyrrolidone,
DTXSID80465330,
5-methoxy-1-methyl-pyrrolidin-2-one,
CID11423602,
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| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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