| CAS Number | 1000932-70-6 |
| Catalog Number | AG019LBA |
| Chemical Name | 2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile |
| IUPAC Name | 2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile |
| InChI | InChI=1S/C12H12N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h1-2,4-5H,3,6-7,9H2 |
| InChI Key | CMNFBCHXBLLJOB-UHFFFAOYSA-N |
| MDL Number | MFCD09863395 |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.2365 |
| SMILES | O=C1N(CC2=C(C#N)C=CC=C2)CCC1 |
| Synonyms | 2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile,
EN300-30682,
1000932-70-6,
AC1Q6EQO,
CTK7C8708,
ZINC19804782,
AKOS000198298,
MCULE-3381130701,
NE36258,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.241g/mol |
| Monoisotopic Mass | 200.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number