| CAS Number | 1105663-34-0 |
| Catalog Number | AG01ELO8 |
| Chemical Name | 4-Azaspiro[2.5]octane-5,7-dione |
| IUPAC Name | 4-azaspiro[2.5]octane-5,7-dione |
| InChI | InChI=1S/C7H9NO2/c9-5-3-6(10)8-7(4-5)1-2-7/h1-4H2,(H,8,10) |
| InChI Key | QIUDDRZYNHAITK-UHFFFAOYSA-N |
| MDL Number | MFCD23133060 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.1519 |
| SMILES | C1CC12NC(CC(C2)=O)=O |
| Synonyms | 4-azaspiro[2.5]octane-5,7-dione,
1105663-34-0,
4-Aza-spiro[2.5]octane-5,7-dione,
SCHEMBL428835,
QIUDDRZYNHAITK-UHFFFAOYSA-N,
MFCD23133060,
ZINC83267567,
4-azaspiro[2.5]-octane-5,7-dione,
AKOS022965992,
DA-47859,
FT-0765431,
F2147-3525,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.154g/mol |
| Monoisotopic Mass | 139.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number