| CAS Number | 324795-73-5 |
| Catalog Number | AG019EUX(AGN-PC-0WG497) |
| Chemical Name | Trans-Ethyl 3-(4-Methylcyclohexyl)Acrylate |
| IUPAC Name | ethyl (E)-3-(4-methylcyclohexyl)prop-2-enoate |
| InChI | InChI=1S/C12H20O2/c1-3-14-12(13)9-8-11-6-4-10(2)5-7-11/h8-11H,3-7H2,1-2H3/b9-8+ |
| InChI Key | OULZSJPNULLCMF-CMDGGOBGSA-N |
| MDL Number | MFCD30471888 |
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.2860 |
| SMILES | CCOC(=O)C=C[C@H]1CC[C@H](C)CC1 |
| Synonyms | TRANS-ETHYL 3-(4-METHYLCYCLOHEXYL)ACRYLATE,
324795-73-5,
Ethyl 3-(trans-4-methylcyclohexyl)acrylate,
SCHEMBL5789254,
SCHEMBL18090625,
MFCD30471888,
AKOS030628069,
ZINC306145220,
CS-0037109,
(E)-Ethyl 3-((1r,4r)-4-methylcyclohexyl)acrylate,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| 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 | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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