| CAS Number | 51069-26-2 |
| Catalog Number | AG00DJOV(AGN-PC-0WD4NV) |
| Chemical Name | Methyl quinuclidine-4-carboxylate |
| IUPAC Name | methyl 1-azabicyclo[2.2.2]octane-4-carboxylate |
| InChI | InChI=1S/C9H15NO2/c1-12-8(11)9-2-5-10(6-3-9)7-4-9/h2-7H2,1H3 |
| InChI Key | IEVLTLPETASBIA-UHFFFAOYSA-N |
| MDL Number | MFCD18374586 |
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.2209 |
| SMILES | O=C(C1(CC2)CCN2CC1)OC |
| Synonyms | METHYL QUINUCLIDINE-4-CARBOXYLATE,
51069-26-2,
methyl 1-azabicyclo[2.2.2]octane-4-carboxylate,
1-Azabicyclo[2.2.2]octane-4-carboxylic acid, methyl ester,
ZINC34370434,
AKOS022186407,
FCH1149392,
AJ-88206,
SC-33106,
AX8283852,
Methyl 4-quinuclidinecarboxylate,
ACN-038471,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.224g/mol |
| Monoisotopic Mass | 169.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number