| CAS Number | 86240-21-3 |
| Catalog Number | AG004JTF(AGN-PC-05WP5U) |
| Chemical Name | 2-Methyl-5-oxopyrrolidine-2-carbonitrile |
| IUPAC Name | 2-methyl-5-oxopyrrolidine-2-carbonitrile |
| InChI | InChI=1S/C6H8N2O/c1-6(4-7)3-2-5(9)8-6/h2-3H2,1H3,(H,8,9) |
| InChI Key | BXKKJJWDNAORNS-UHFFFAOYSA-N |
| MDL Number | MFCD12198475 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| NSC Number | 49102 |
| SMILES | N1C(C)(CCC1=O)C#N |
| Synonyms | 86240-21-3,
5-Cyano-5-methyl-2-pyrrolidone,
2-methyl-5-oxo-2-pyrrolidinecarbonitrile,
2-methyl-5-oxopyrrolidine-2-carbonitrile,
2-methyl-5-oxo-pyrrolidine-2-carbonitrile,
NSC49102,
AC1L67NW,
5-Methyl-5-cyano-2-pyrrolidone,
CTK3F0938,
DTXSID00287132,
ZX-CM007765,
FCH923584,
MFCD12198475,
NSC-49102,
AKOS005362703,
BS-12538,
Y-7159,
4033415-25G,
CID241581,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number