| CAS Number | 64811-81-0 |
| Catalog Number | AG01AN5P(AGN-PC-0CQLZ5) |
| Chemical Name | 1-(2-Methylcyclohexyl)ethan-1-one |
| IUPAC Name | 1-(2-methylcyclohexyl)ethanone |
| InChI | InChI=1S/C9H16O/c1-7-5-3-4-6-9(7)8(2)10/h7,9H,3-6H2,1-2H3 |
| InChI Key | VZELQXKHIHNPLU-UHFFFAOYSA-N |
| MDL Number | MFCD21775951 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | CC1C(C(C)=O)CCCC1 |
| Synonyms | 1-(2-methylcyclohexyl)ethan-1-one,
1-Acetyl-2-methylcyclohexane,
64811-81-0,
SCHEMBL8229502,
2-Methylcyclohexyl Methyl Ketone,
CTK8J0025,
VZELQXKHIHNPLU-UHFFFAOYSA-N,
AKOS015814473,
Z2230862918,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number