| CAS Number | 7214-50-8 |
| Catalog Number | AG005JT5(AGN-PC-0JSAM1) |
| Chemical Name | 5-Methylcyclohex-2-en-1-one |
| IUPAC Name | 5-methylcyclohex-2-en-1-one |
| InChI | InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h2,4,6H,3,5H2,1H3 |
| InChI Key | NQICQYZVEPBJON-UHFFFAOYSA-N |
| MDL Number | MFCD02685515 |
| Molecular Formula | C7H10O |
| Molecular Weight | 110.1537 |
| SMILES | CC1CC(=O)C=CC1 |
| Synonyms | 2-Cyclohexen-1-one, 5-methyl-,
5-methylcyclohex-2-en-1-one,
7214-50-8,
NQICQYZVEPBJON-UHFFFAOYSA-N,
AC1LAWXE,
5-methyl-2-cyclohexenone,
5-methyl-2-cyclohexen-1-one,
SCHEMBL5791644,
CTK2H2830,
DTXSID40334957,
(+/-)-5-methyl-cyclohex-2-enone,
AKOS030240071,
CID522446,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 110.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 110.156g/mol |
| Monoisotopic Mass | 110.073g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number