| CAS Number | 5309-16-0 |
| Catalog Number | AG00DBXB(AGN-PC-0NDT5A) |
| Chemical Name | 4-(4-Methoxyphenyl)cyclohexanone |
| EC Number | 610-959-2 |
| IUPAC Name | 4-(4-methoxyphenyl)cyclohexan-1-one |
| InChI | InChI=1S/C13H16O2/c1-15-13-8-4-11(5-9-13)10-2-6-12(14)7-3-10/h4-5,8-10H,2-3,6-7H2,1H3 |
| InChI Key | ZMMQLFXRGHSTSW-UHFFFAOYSA-N |
| MDL Number | MFCD09743528 |
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.2649 |
| SMILES | O=C1CCC(C2=CC=C(OC)C=C2)CC1 |
| Synonyms | 4-(4-METHOXYPHENYL)CYCLOHEXANONE,
5309-16-0,
4-(4-methoxyphenyl)cyclohexan-1-one,
SCHEMBL1506570,
CTK4J7048,
DTXSID10450451,
ZMMQLFXRGHSTSW-UHFFFAOYSA-N,
4-(4-methoxyphenyl) cyclohexanone,
4-(4-methoxyphenyl)-cyclohexanone,
ZINC34585969,
AKOS015917501,
NE45519,
AJ-89537,
DB-071627,
FT-0711529,
I14-9670,
4-(cyclohexanone)Metoxybenzene,
CID10976581,
EC 610-959-2,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.269g/mol |
| Monoisotopic Mass | 204.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number