| CAS Number | 546114-04-9 |
| Catalog Number | AG00DBLA(AGN-PC-00DPLA) |
| Chemical Name | 4-Azaspiro[2.5]octan-5-one(9CI) |
| IUPAC Name | 4-azaspiro[2.5]octan-5-one |
| InChI | InChI=1S/C7H11NO/c9-6-2-1-3-7(8-6)4-5-7/h1-5H2,(H,8,9) |
| InChI Key | CPONDIRBUHQHSM-UHFFFAOYSA-N |
| MDL Number | MFCD13178736 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | O=C(CCC1)NC21CC2 |
| Synonyms | 4-azaspiro[2.5]octan-5-one,
546114-04-9,
4-AZASPIRO[2.5]OCTAN-5-ONE(9CI),
4-Azaspiro[2.5]-octan-5-one,
4-Azaspiro[2.5]octane-5-one,
CTK5A1916,
KS-00000TGR,
DTXSID00470224,
MFCD13178736,
ZINC38212555,
AKOS022965712,
FCH1159373,
AK205259,
DS-10399,
AB0080983,
AX8267080,
CS-0044076,
W-4484,
4-Azaspiro[2.5]octan-5-one (9CI),
CID11665409,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.171g/mol |
| Monoisotopic Mass | 125.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number