| CAS Number | 168274-89-3 |
| Catalog Number | AG001XZC(AGN-PC-0O4RQS) |
| Chemical Name | 4-[(1s,4r)-4-propylcyclohexyl]phenyl prop-2-enoate |
| IUPAC Name | [4-(4-propylcyclohexyl)phenyl] prop-2-enoate |
| InChI | InChI=1S/C18H24O2/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)20-18(19)4-2/h4,10-15H,2-3,5-9H2,1H3 |
| InChI Key | QEVDSQAQCWMYKW-UHFFFAOYSA-N |
| MDL Number | MFCD31544314 |
| Molecular Formula | C18H24O2 |
| Molecular Weight | 272.3820 |
| SMILES | CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)OC(=O)C=C |
| Synonyms | 168274-89-3,
2-Propenoic acid, 4-(trans-4-propylcyclohexyl)phenyl ester,
4-(4-Propylcyclohexyl)phenyl prop-2-enoate,
SCHEMBL74879,
SCHEMBL1655552,
SCHEMBL18352846,
CTK0E5257,
2-Propenoic acid 4-(trans-4-propylcyclohexyl)phenyl ester,
DTXSID30608997,
QEVDSQAQCWMYKW-UHFFFAOYSA-N,
MFCD31544314,
4-(4-propylcyclohexyl)phenyl acrylate,
AKOS030228160,
KS-000000D3,
Acrylic acid 4-(4-propylcyclohexyl)phenyl ester,
trans-4-(4'-propylcyclohexyl)phenyl acrylate,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.388g/mol |
| Monoisotopic Mass | 272.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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