| CAS Number | 120929-90-0 |
| Catalog Number | AG01AIVG(AGN-PC-02RDH5) |
| Chemical Name | 4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one |
| IUPAC Name | 4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one |
| InChI | InChI=1S/C7H9F3O2/c8-7(9,10)6(12)3-1-5(11)2-4-6/h12H,1-4H2 |
| InChI Key | WQEVHVUXWMPHQO-UHFFFAOYSA-N |
| MDL Number | MFCD18917407 |
| Molecular Formula | C7H9F3O2 |
| Molecular Weight | 182.1404 |
| SMILES | FC(C1(O)CCC(=O)CC1)(F)F |
| Synonyms | 4-hydroxy-4-(trifluoromethyl)cyclohexan-1-one,
120929-90-0,
4-hydroxy-4-(trifluoromethyl)cyclohexanone,
SCHEMBL1372643,
WQEVHVUXWMPHQO-UHFFFAOYSA-N,
ZINC68593395,
AKOS013584429,
MCULE-4768704946,
NE56979,
4-Hvdroxy-4-trifluoromethylcyclohexanone,
4-Hydroxy-4-trifluoromethylcyclohexanone,
EN300-79129,
Z1259155940,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.142g/mol |
| Monoisotopic Mass | 182.055g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number