| CAS Number | 135908-42-8 |
| Catalog Number | AG007N5G(AGN-PC-02YT8S) |
| Chemical Name | Methyl 4-Carbamoylbicyclo[2.2.2]Octane-1-Carboxylate |
| IUPAC Name | methyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate |
| InChI | InChI=1S/C11H17NO3/c1-15-9(14)11-5-2-10(3-6-11,4-7-11)8(12)13/h2-7H2,1H3,(H2,12,13) |
| InChI Key | XGAHSDLSSUMLPD-UHFFFAOYSA-N |
| MDL Number | MFCD23701420 |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| SMILES | COC(C12CCC(CC1)(C(N)=O)CC2)=O |
| Synonyms | Methyl 4-carbamoylbicyclo[2.2.2]octane-1-carboxylate,
135908-42-8,
XGAHSDLSSUMLPD-UHFFFAOYSA-N,
SCHEMBL4093471,
CTK8C0914,
DTXSID30609641,
ANW-65467,
ZINC85221177,
AKOS016005632,
AJ-126909,
TC-154212,
Methyl4-carbamoylbicyclo[2.2.2]octane-1-carboxylate,
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| Complexity | 286 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.261g/mol |
| Monoisotopic Mass | 211.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number