| CAS Number | 333-10-8 |
| Catalog Number | AG01B5J9(AGN-PC-0AMB2W) |
| Chemical Name | 3-oxa-7-azabicyclo[4.1.0]heptane |
| IUPAC Name | 3-oxa-7-azabicyclo[4.1.0]heptane |
| InChI | InChI=1S/C5H9NO/c1-2-7-3-5-4(1)6-5/h4-6H,1-3H2 |
| InChI Key | DIUNZTQKLKGEBB-UHFFFAOYSA-N |
| MDL Number | MFCD19223534 |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| SMILES | C1OCC2C(N2)C1 |
| Synonyms | 3-Oxa-7-azabicyclo[4.1.0]heptane,
333-10-8,
AKOS006384688,
|
| Complexity | 84.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 99.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.133g/mol |
| Monoisotopic Mass | 99.068g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number