| CAS Number | 90525-37-4 |
| Catalog Number | AG003UXI(AGN-PC-0VQPDU) |
| Chemical Name | trans-4-(4n-Heptylcyclohexyl)phenol |
| IUPAC Name | 4-(4-heptylcyclohexyl)phenol |
| InChI | InChI=1S/C19H30O/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h12-17,20H,2-11H2,1H3 |
| InChI Key | LQNATOSZMJPGNE-UHFFFAOYSA-N |
| MDL Number | MFCD12031335 |
| Molecular Formula | C19H30O |
| Molecular Weight | 274.4409 |
| SMILES | CCCCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)O |
| Synonyms | 90525-37-4,
trans-4-(4n-Heptylcyclohexyl)phenol,
4-(trans-4-Heptylcyclohexyl)phenol,
4-(4-heptylcyclohexyl)phenol,
SCHEMBL4337530,
SCHEMBL9815696,
SCHEMBL15725346,
4-(4-Heptylcyclohexyl)- phenol,
MFCD12031335,
ZINC59608448,
AKOS024390259,
AKOS030228648,
trans-4-(4-N-heptylcyclohexyl)phenol,
MCULE-6194402613,
trans-4-(4'-n-Heptylcyclohexyl)phenol,
KS-000001I3,
trans-4-(4\'-n-Heptylcyclohexyl)phenol,
FT-0739212,
ST51045397,
709031-66-3,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.23g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.448g/mol |
| Monoisotopic Mass | 274.23g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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