| CAS Number | 7228-52-6 |
| Catalog Number | AG01BXYU(AGN-PC-0NJR4H) |
| Chemical Name | 2,2-dimethylcycloheptan-1-one |
| IUPAC Name | 2,2-dimethylcycloheptan-1-one |
| InChI | InChI=1S/C9H16O/c1-9(2)7-5-3-4-6-8(9)10/h3-7H2,1-2H3 |
| InChI Key | UJALODPLYNRSNS-UHFFFAOYSA-N |
| MDL Number | MFCD00184940 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | CC1(C(=O)CCCCC1)C |
| Synonyms | 2,2-dimethylcycloheptanone,
7228-52-6,
2.2-Dimethylcycloheptanon,
SCHEMBL2691988,
UJALODPLYNRSNS-UHFFFAOYSA-N,
ZINC39259018,
AKOS023656622,
5-amino-3-(5-amino-4-cyano-3-methylfuran-2-yl)-3-methyl-2H-f,
|
| Complexity | 136 |
| 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 | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number