| CAS Number | 94994-30-6 |
| Catalog Number | AG01ALAC(AGN-PC-03AMU2) |
| Chemical Name | 4-methylbicyclo[2.2.2]octane-1-carbaldehyde |
| IUPAC Name | 4-methylbicyclo[2.2.2]octane-1-carbaldehyde |
| InChI | InChI=1S/C10H16O/c1-9-2-5-10(8-11,6-3-9)7-4-9/h8H,2-7H2,1H3 |
| InChI Key | IHYQSRJPQZRTHM-UHFFFAOYSA-N |
| MDL Number | MFCD24677324 |
| Molecular Formula | C10H16O |
| Molecular Weight | 152.2334 |
| SMILES | CC12CCC(C=O)(CC1)CC2 |
| Synonyms | 4-methylbicyclo[2.2.2]octane-1-carbaldehyde,
94994-30-6,
SCHEMBL11722589,
ZINC138305081,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.237g/mol |
| Monoisotopic Mass | 152.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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