| CAS Number | 16994-00-6 |
| Catalog Number | AG00AS40(AGN-PC-0WNGD5) |
| Chemical Name | 3-Azabicyclo[3.2.1]octan-2-one |
| IUPAC Name | 3-azabicyclo[3.2.1]octan-2-one |
| InChI | InChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9) |
| InChI Key | VIJCSXWSAGILRP-UHFFFAOYSA-N |
| MDL Number | MFCD11502568 |
| Molecular Formula | C7H11NO |
| Molecular Weight | 125.1683 |
| SMILES | O=C1NCC2CC1CC2 |
| Synonyms | 3-Azabicyclo[3.2.1]octan-2-one,
16994-00-6,
AC1LC6LA,
3-azabicyclo[3.2.1]octanone,
SCHEMBL4994284,
KS-00000QYV,
VIJCSXWSAGILRP-UHFFFAOYSA-N,
3-azabicyclo[3.2.1]octan-4-one,
MFCD11502568,
AKOS006347696,
AK311924,
DS-11787,
CID548825,
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| Complexity | 144 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number