| CAS Number | 110590-29-9 |
| Catalog Number | AG009U1Z(AGN-PC-00P2GN) |
| Chemical Name | Tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate |
| IUPAC Name | tert-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate |
| InChI | InChI=1S/C11H17NO3/c1-11(2,3)14-10(13)12-8-4-6-9(15-12)7-5-8/h4,6,8-9H,5,7H2,1-3H3 |
| InChI Key | KWICUYZLFNKYIA-UHFFFAOYSA-N |
| MDL Number | MFCD24038975 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | CC(OC(N1C2C=CC(CC2)O1)=O)(C)C |
| Synonyms | 110590-29-9,
TERT-BUTYL 2-OXA-3-AZABICYCLO[2.2.2]OCT-5-ENE-3-CARBOXYLATE,
KWICUYZLFNKYIA-UHFFFAOYSA-N,
SCHEMBL4278389,
DTXSID00572232,
AKOS016012542,
AX8249154,
CS-0047210,
A802222,
t-butyl 2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate,
3-(tert-Butoxycarbonyl)-2-oxa-3-azabicyclo[2.2.2]octa-5-ene,
tert-Butyl 2-Aza-3-oxabicyclo[2.2.2]oct-5-ene-2-carboxylate,
tert-butyl 3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate,
3-oxa-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid tert-butyl ester,
2-Oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 1,1-diMethylethyl ester,
tert-Butyl2-oxa-3-azabicyclo[2.2.2]oct-5-ene-3-carboxylate,
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| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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