| CAS Number | 1451392-80-5 |
| Catalog Number | AG019EQB |
| Chemical Name | tert-butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate |
| IUPAC Name | tert-butyl 6-azatricyclo[5.3.0.01,5]deca-3,8-diene-6-carboxylate |
| InChI | InChI=1S/C14H19NO2/c1-13(2,3)17-12(16)15-10-6-4-8-14(10)9-5-7-11(14)15/h4-7,10-11H,8-9H2,1-3H3 |
| InChI Key | QONDMLQEWGSYFB-UHFFFAOYSA-N |
| MDL Number | MFCD23704693 |
| Molecular Formula | C14H19NO2 |
| Molecular Weight | 233.3062 |
| SMILES | CC(C)(C)OC(=O)N1C2C=CCC22CC=CC12 |
| Synonyms | 1449117-36-5,
tert-Butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate,
tert-Butyl 4a,7-dihydro-1H-dicyclopenta-[b,c]azete-4(3aH)-carboxylate,
AKOS024463133,
FCH2896407,
AK161381,
CS-0060913,
tert-butyl4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate,
1451392-80-5,
tert-butyl 4a,7-dihydro-1H-dicyclopenta[b,c]azete-4(3aH)-carboxylate, 95% - 1G 1g,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.311g/mol |
| Monoisotopic Mass | 233.142g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number