| CAS Number | 91965-21-8 |
| Catalog Number | AG019WBD(AGN-PC-0JVJ6M) |
| Chemical Name | 5-Methylbicyclo[3.3.1]nonane-1-carboxylic acid |
| IUPAC Name | 5-methylbicyclo[3.3.1]nonane-1-carboxylic acid |
| InChI | InChI=1S/C11H18O2/c1-10-4-2-6-11(8-10,9(12)13)7-3-5-10/h2-8H2,1H3,(H,12,13) |
| InChI Key | YIKIESMRPJSYAY-UHFFFAOYSA-N |
| MDL Number | MFCD00497987 |
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.2594 |
| SMILES | O=C(C1(C2)CCCC2(C)CCC1)O |
| Synonyms | 5-methylbicyclo[3.3.1]nonane-1-carboxylic acid,
91965-21-8,
Maybridge3_001023,
AC1LDY6Y,
AC1Q2QEM,
CTK7I6082,
HMS1433O11,
ZINC136296,
AKOS001022135,
IDI1_012410,
EN300-51320,
1-methylbicyclo[3.3.1]nonane-5-carboxylic acid,
Z56754317,
CID727236,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.263g/mol |
| Monoisotopic Mass | 182.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number