| CAS Number | 1936132-15-8 |
| Catalog Number | AG01C84M |
| Chemical Name | 2-Azaspiro[3.3]heptan-1-one |
| IUPAC Name | 2-azaspiro[3.3]heptan-3-one |
| InChI | InChI=1S/C6H9NO/c8-5-6(4-7-5)2-1-3-6/h1-4H2,(H,7,8) |
| InChI Key | JCPLQTZVBUXJGQ-UHFFFAOYSA-N |
| MDL Number | MFCD29042912 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | O=C1C2(CCC2)CN1 |
| Synonyms | 2-azaspiro[3.3]heptan-1-one,
1936132-15-8,
azaspiro[3.3] heptanone,
SCHEMBL7814916,
ZINC146372858,
na,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number