| CAS Number | 192433-18-4 |
| Catalog Number | AG01BTXO(AGN-PC-0CPX81) |
| Chemical Name | 1-methyl-3-oxocyclopentane-1-carbonitrile |
| IUPAC Name | 1-methyl-3-oxocyclopentane-1-carbonitrile |
| InChI | InChI=1S/C7H9NO/c1-7(5-8)3-2-6(9)4-7/h2-4H2,1H3 |
| InChI Key | OOGKBJYFGKSSNR-UHFFFAOYSA-N |
| MDL Number | MFCD24696604 |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.1525 |
| SMILES | CC1(CC(CC1)=O)C#N |
| Synonyms | 1-methyl-3-oxocyclopentanecarbonitrile,
192433-18-4,
1-methyl-3-oxocyclopentane-1-carbonitrile,
J3.592.345D,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.155g/mol |
| Monoisotopic Mass | 123.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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