| CAS Number | 1638529-40-4 |
| Catalog Number | AG01BQDQ |
| Chemical Name | tert-butyl 6-(pyridin-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate |
| IUPAC Name | tert-butyl 6-pyridin-2-yl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate |
| InChI | InChI=1S/C15H20N2O3/c1-14(2,3)20-13(18)17-9-7-15(12(10-17)19-15)11-6-4-5-8-16-11/h4-6,8,12H,7,9-10H2,1-3H3 |
| InChI Key | BZWOPQCPKFHUQJ-UHFFFAOYSA-N |
| MDL Number | MFCD28970625 |
| Molecular Formula | C15H20N2O3 |
| Molecular Weight | 276.3309 |
| SMILES | CC(OC(N1CC2C(C3=NC=CC=C3)(O2)CC1)=O)(C)C |
| Synonyms | tert-butyl 6-(pyridin-2-yl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate,
1638529-40-4,
SCHEMBL16372429,
BZWOPQCPKFHUQJ-UHFFFAOYSA-N,
tert-butyl 6-(2-pyridyl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate,
6-Pyridin-2-yl-7-oxa-3-aza-bicyclo[4.1.0]heptane-3-carboxylic acid tert-butyl ester,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.336g/mol |
| Monoisotopic Mass | 276.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number