| CAS Number | 115901-78-5 |
| Catalog Number | AG01A60G(AGN-PC-005K6X) |
| Chemical Name | ethyl 3-cyclohexyl-2-methylprop-2-enoate |
| IUPAC Name | ethyl 3-cyclohexyl-2-methylprop-2-enoate |
| InChI | InChI=1S/C12H20O2/c1-3-14-12(13)10(2)9-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3 |
| InChI Key | PFGOKHUIRGSHFD-UHFFFAOYSA-N |
| MDL Number | MFCD25970286 |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.2860 |
| SMILES | CCOC(C(C)=CC1CCCCC1)=O |
| Synonyms | ethyl 3-cyclohexyl-2-methylprop-2-enoate,
115901-78-5,
2-Propenoic acid, 3-cyclohexyl-2-methyl-, ethyl ester,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.29g/mol |
| Monoisotopic Mass | 196.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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