| CAS Number | 18932-33-7 |
| Catalog Number | AG002IA6(AGN-PC-0NI656) |
| Chemical Name | 4-Methyl-4-phenylcyclohexanone |
| IUPAC Name | 4-methyl-4-phenylcyclohexan-1-one |
| InChI | InChI=1S/C13H16O/c1-13(9-7-12(14)8-10-13)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3 |
| InChI Key | XPRFFLCYHYODMZ-UHFFFAOYSA-N |
| MDL Number | MFCD10569281 |
| Molecular Formula | C13H16O |
| Molecular Weight | 188.2655 |
| SMILES | CC1(C2=CC=CC=C2)CCC(=O)CC1 |
| Synonyms | 4-methyl-4-phenylcyclohexanone,
18932-33-7,
4-methyl-4-phenylcyclohexan-1-one,
Cyclohexanone, 4-methyl-4-phenyl-,
SCHEMBL7810392,
CTK0E1785,
DTXSID60481492,
XPRFFLCYHYODMZ-UHFFFAOYSA-N,
ZINC39188462,
AKOS016844481,
MCULE-3323971645,
NE17631,
RL02405,
AJ-98893,
J-515753,
Z1552005503,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.27g/mol |
| Monoisotopic Mass | 188.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number