| CAS Number | 77130-93-9 |
| Catalog Number | AG00ICSN(AGN-PC-0NK61I) |
| Chemical Name | methyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate |
| IUPAC Name | methyl 2,2-dimethyl-3-oxopyrrolidine-1-carboxylate |
| InChI | InChI=1S/C8H13NO3/c1-8(2)6(10)4-5-9(8)7(11)12-3/h4-5H2,1-3H3 |
| InChI Key | NPFDVDIFQFIDOW-UHFFFAOYSA-N |
| MDL Number | MFCD24691534 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | COC(N1C(C)(C)C(=O)CC1)=O |
| Synonyms | METHYL 2,2-DIMETHYL-3-OXOPYRROLIDINE-1-CARBOXYLATE,
77130-93-9,
SCHEMBL8221825,
ZINC95803894,
F9994-5426,
1-Pyrrolidinecarboxylic acid, 2,2-dimethyl-3-oxo-, methyl ester,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number