| CAS Number | 773-34-2 |
| Catalog Number | AG005BUZ(AGN-PC-0NK6RK) |
| Chemical Name | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methoxy- |
| IUPAC Name | 4-methoxybicyclo[2.2.2]octane-1-carboxylic acid |
| InChI | InChI=1S/C10H16O3/c1-13-10-5-2-9(3-6-10,4-7-10)8(11)12/h2-7H2,1H3,(H,11,12) |
| InChI Key | DLBDAPLFRGILPT-UHFFFAOYSA-N |
| MDL Number | MFCD20638615 |
| Molecular Formula | C10H16O3 |
| Molecular Weight | 184.2322 |
| SMILES | COC12CCC(CC1)(CC2)C(=O)O |
| Synonyms | 4-Methoxybicyclo[2.2.2]octane-1-carboxylic acid,
773-34-2,
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methoxy-,
SCHEMBL2138861,
CTK2G6591,
DTXSID60509342,
DLBDAPLFRGILPT-UHFFFAOYSA-N,
ZINC75576519,
AKOS022641668,
KS-10154,
CS-0092254,
FT-0718779,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.235g/mol |
| Monoisotopic Mass | 184.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number