| CAS Number | 77630-11-6 |
| Catalog Number | AG00ICVE(AGN-PC-0NK1AJ) |
| Chemical Name | 5,5-Dimethyl-2-oxo-cyclohexanecarbaldehyde |
| IUPAC Name | 5,5-dimethyl-2-oxocyclohexane-1-carbaldehyde |
| InChI | InChI=1S/C9H14O2/c1-9(2)4-3-8(11)7(5-9)6-10/h6-7H,3-5H2,1-2H3 |
| InChI Key | NLQPHBAIRKKSBI-UHFFFAOYSA-N |
| MDL Number | MFCD20319682 |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.2063 |
| SMILES | CC1(C)CCC(=O)C(C1)C=O |
| Synonyms | 77630-11-6,
5,5-DIMETHYL-2-OXOCYCLOHEXANECARBALDEHYDE,
5,5-dimethyl-2-oxo-cyclohexanecarbaldehyde,
5,5-dimethyl-2-oxocyclohexane-1-carbaldehyde,
SCHEMBL1861015,
NLQPHBAIRKKSBI-UHFFFAOYSA-N,
MFCD20319682,
AKOS013740111,
AS-42330,
CS-0091841,
X-1922,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.209g/mol |
| Monoisotopic Mass | 154.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number