| CAS Number | 6553-64-6 |
| Catalog Number | AG01EB5L(AGN-PC-00G6C7) |
| Chemical Name | 6,6-dimethylcyclohex-2-en-1-one |
| EC Number | 613-816-2 |
| IUPAC Name | 6,6-dimethylcyclohex-2-en-1-one |
| InChI | InChI=1S/C8H12O/c1-8(2)6-4-3-5-7(8)9/h3,5H,4,6H2,1-2H3 |
| InChI Key | KEYIROCHSRBPLS-UHFFFAOYSA-N |
| MDL Number | MFCD09867957 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | CC1(C(=O)C=CCC1)C |
| Synonyms | 6,6-dimethylcyclohex-2-enone,
6,6-dimethyl-2-cyclohexen-1-one,
6553-64-6,
6,6-dimethyl-cyclohex-2-en-1-one,
SCHEMBL7881717,
KEYIROCHSRBPLS-UHFFFAOYSA-N,
6,6-Dimethyl-2-cyclohexene-1-one,
ZINC36436734,
2-Cyclohexen-1-one, 6,6-dimethyl-,
AKOS024437018,
MCULE-1811364024,
6,6-dimethylcyclohex-2-en-1-one,
CID11788302,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number