| CAS Number | 1423032-61-4 |
| Catalog Number | AG01A2HT |
| Chemical Name | 4-Hydroxy-4-[4-(propan-2-yl)phenyl]cyclohexan-1-one |
| IUPAC Name | 4-hydroxy-4-(4-propan-2-ylphenyl)cyclohexan-1-one |
| InChI | InChI=1S/C15H20O2/c1-11(2)12-3-5-13(6-4-12)15(17)9-7-14(16)8-10-15/h3-6,11,17H,7-10H2,1-2H3 |
| InChI Key | FBXHXQTUCQMXPY-UHFFFAOYSA-N |
| MDL Number | MFCD21078768 |
| Molecular Formula | C15H20O2 |
| Molecular Weight | 232.3181 |
| SMILES | CC(C1=CC=C(C2(CCC(=O)CC2)O)C=C1)C |
| Synonyms | 4-hydroxy-4-[4-(propan-2-yl)phenyl]cyclohexan-1-one,
1423032-61-4,
SCHEMBL11793971,
ZINC83255241,
AKOS015257018,
MCULE-4307864810,
NE33203,
Z1511513970,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.323g/mol |
| Monoisotopic Mass | 232.146g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number